Basic information
- CAS
170493-74-0- Standard SMILES
COc1ccc2ccc3ccn(C[C@H](C)N)c3c2c1- InChIKey
MOSGNELJVBZMRU-NSHDSACASA-N- Molecular formula
- C16H18N2O
- Average molar mass
- 254.33 g/mol
- Monoisotopic mass
- 254.1419132
Names & identifiers
- Preferred name
- 1H-Benz(g)indole-1-ethanamine, 8-methoxy-alpha-methyl-, (S)-
- IUPAC
- (2S)-1-(8-methoxybenzo[g]indol-1-yl)propan-2-amine
Names & synonyms
RO 60-0242170493-74-01H-Benz(g)indole-1-ethanamine, 8-methoxy-alpha-methyl-, (S)-SCHEMBL8596238DTXSID70168868(2S)-1-(8-Methoxy-1H-benzo[g]indol-1-yl)propan-2-amine1H-Benz(g)indole-1-ethanamine, 8-methoxy-alpha-methyl-, (alphaS)-
Database identifiers
- CAS
170493-74-0- PubChem CID
- 3045238
- DTXSID
DTXSID70168868- Nikkaji
- J973.448A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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