Basic information
- Standard SMILES
COc1cccc2c1CC[C@@H]1NCCC[C@@H]21- InChIKey
GHNVWCDFSUPLTC-AAEUAGOBSA-N- Molecular formula
- C14H19NO
- Average molar mass
- 217.31 g/mol
- Monoisotopic mass
- 217.14666423
Names & identifiers
- Preferred name
- trans-7-Methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
- IUPAC
- (4aS,10bS)-7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
Names & synonyms
SCHEMBL1870138GHNVWCDFSUPLTC-AAEUAGOBSA-Ntrans 7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolinetrans-7-methoxy-1,2,3,4,4a,5,6,10b-octahydro-benzo[f]quinolinetrans-7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
Database identifiers
- PubChem CID
- 13611558
- Nikkaji
- J1.029.028G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Related reactions
5 records
Compound notes
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