Etryptamine, (R)-
Basic information
- CAS
10215-73-3- Standard SMILES
CC[C@@H](N)Cc1c[nH]c2ccccc12- InChIKey
ZXUMUPVQYAFTLF-SNVBAGLBSA-N- Molecular formula
- C12H16N2
- Average molar mass
- 188.27 g/mol
- Monoisotopic mass
- 188.13134852
Names & identifiers
- Preferred name
- Etryptamine, (R)-
- IUPAC
- (2R)-1-(1H-indol-3-yl)butan-2-amine
Names & synonyms
Etryptamine, (R)-19VO3DPF3GUNII-19VO3DPF3GCHEMBL333064610215-73-31H-Indole-3-ethanamine, alpha-ethyl-, (alphaR)-SCHEMBL1172193TQP0681BDBM50025212(R)-1-(1H-indol-3-yl)butan-2-amine1H-INDOLE-3-ETHANAMINE, .ALPHA.-ETHYL-, (.ALPHA.R)-
Database identifiers
- CAS
10215-73-3- PubChem CID
- 728636
- ChEMBL
CHEMBL3330646- UNII
- 19VO3DPF3G
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
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
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Compound notes
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