Basic information
- CAS
170493-66-0- Standard SMILES
COc1ccc2c(c1)-c1c(ccn1C[C@H](C)N)C2- InChIKey
OTCPUISFVUWAGR-JTQLQIEISA-N- Molecular formula
- C15H18N2O
- Average molar mass
- 242.32 g/mol
- Monoisotopic mass
- 242.1419132
Names & identifiers
- Preferred name
- Indeno(1,2-b)pyrrole-1(4H)-ethanamine, 7-methoxy-alpha-methyl-, (S)-
- IUPAC
- (2S)-1-(7-methoxy-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine
Names & synonyms
CHEMBL2114265170493-66-0RO 60-0213Indeno(1,2-b)pyrrole-1(4H)-ethanamine, 7-methoxy-alpha-methyl-, (S)-SCHEMBL8595714DTXSID50168866BDBM50471326(2S)-1-(7-methoxyindeno[1,2-b]pyrrol-1(4H)-yl)propan-2-amineIndeno(1,2-b)pyrrole-1(4H)-ethanamine, 7-methoxy-alpha-methyl-, (alphaS)-
Database identifiers
- CAS
170493-66-0- PubChem CID
- 3045239
- DTXSID
DTXSID50168866- ChEMBL
CHEMBL2114265- Nikkaji
- J873.223J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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