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Tryptamine

Athanor · official

C10H12N2 · 160.22 g/mol

IUPAC name: 2-(1H-indol-3-yl)ethanamine

Also called indole-3-ethanamine

HormonesNatural productsRings
Open in Athanor
The structure of Tryptamine
Drawn from its SMILES with RDKit
Harmful or irritantWarningCauses skin irritation · Causes serious eye irritation · May cause respiratory irritation

Names and identifiers

IUPAC name
2-(1H-indol-3-yl)ethanamine
Synonyms
indole-3-ethanamine, 2-(1H-Indol-3-yl)ethanamine, 3-(2-aminoethyl)indole
+ 36 more

1H-Indole-3-ethanamine, 2-(3-Indolyl)ethylamine, 2-(1H-Indol-3-Yl)Ethan-1-Amine, Indole, 3-(2-aminoethyl)-, beta-(3-Indolyl)ethylamine, 422ZU9N5TV, CHEBI:16765, DTXSID2075340, NSC-165212, 3-[2-Aminoethyl]indole, RefChem:900684, DTXCID3042922, 200-510-5, Indol-3-ethylamine, Tryptamin, 2-(Indol-3-yl)ethylamine, 2-(1H-indol-3-yl)ethylamine, 3-Indoleethylamine, (Amino-2 ethyl)-3 indole, MFCD00005661, 3-(2-Aminoethyl)-1H-indole, 2-Indol-3-ylethylamine, 3-Indoleethanamine, (Amino-2 ethyl)-3 indole [French], BRN 0125513, CHEMBL6640, .beta.-(3-Indolyl)ethylamine, Tryptamine, free base, EINECS 200-510-5, triptamine, UNII-422ZU9N5TV, 2-(1H-INDOL-3-YL)-ETHYLAMINE, CCRIS 8959, SR-01000075589, 3-indolylethylamine, TSH

Molecular formula
C10H12N2
Empirical formula
C5H6N
Molecular weight
160.22 g/mol
Exact mass
160.10005
CAS number
61-54-1
PubChem CID
1150
Canonical SMILES
C1=CC=C2C(=C1)C(=CN2)CCN
Isomeric SMILES
C1=CC=C2C(=C1)C(=CN2)CCN
InChI
InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
InChIKey
APJYDQYYACXCRM-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
12
Rings
2
Aromatic rings
2
Fraction sp³ carbons (Fsp3)
0.2
H-bond donors
2
H-bond acceptors
1
Rotatable bonds
2
TPSA (Ų)
41.8
Formal charge
0
XLogP3
1.6 PubChem
Complexity
147 PubChem
Stereocenters
None
Double-bond geometry
None specified
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C74.97%
  • H7.55%
  • N17.48%

Isotope pattern

100%160.10012%161.103162.106

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
1.67 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-2.31 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
1.79 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 160.22
  • log P ≤ 5 (Crippen): 1.67
  • H-bond donors ≤ 5: 2
  • H-bond acceptors ≤ 10: 1

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Warning

Most widely reported: 52 company reports to ECHA. Source [1].

  • Harmful or irritant
  • H315Causes skin irritation (96.2% of reports)
  • H319Causes serious eye irritation (96.2% of reports)
  • H335May cause respiratory irritation (92.3% of reports)

Precautionary statements: P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

View all classifications (2)
  • [1] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 1.9% (1 of 52) of reports.
  • [1] European Chemicals Agency (ECHA) · 52 reports · WarningH315, H319, H335

Safety data sheets on the supplier’s page: Mcule, Specs, Alfa Chemistry.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  2. [2]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
  3. [3]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  4. [4]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  5. [5]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  6. [6]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  7. [7]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  8. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  9. ·Literature on PubChem

Data last updated 2026-10-14.