Etryptamine, (S)-
Basic information
- CAS
29854-47-5- Standard SMILES
CC[C@H](N)Cc1c[nH]c2ccccc12- InChIKey
ZXUMUPVQYAFTLF-JTQLQIEISA-N- Molecular formula
- C12H16N2
- Average molar mass
- 188.27 g/mol
- Monoisotopic mass
- 188.13134852
Names & identifiers
- Preferred name
- Etryptamine, (S)-
- IUPAC
- (2S)-1-(1H-indol-3-yl)butan-2-amine
Names & synonyms
Etryptamine, (S)-RH40Q45CQDUNII-RH40Q45CQD29854-47-5CHEMBL33306451H-Indole-3-ethanamine, alpha-ethyl-, (alphaS)-(2S)-1-(1H-indol-3-yl)butan-2-amineSCHEMBL15281765TQP0682DTXSID501295316BDBM50025200(S)-1-(1H-indol-3-yl)butan-2-amine
Show more names
(I+/-S)-I+/--Ethyl-1H-indole-3-ethanamine1H-INDOLE-3-ETHANAMINE, .ALPHA.-ETHYL-, (.ALPHA.S)-
Database identifiers
- CAS
29854-47-5- PubChem CID
- 728634
- DTXSID
DTXSID501295316- ChEMBL
CHEMBL3330645- UNII
- RH40Q45CQD
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
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Related reactions
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Compound notes
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