Basic information
- CAS
88823-40-9- Standard SMILES
COc1ccc2c(c1)[C@H](c1ccc(N)cc1)[C@@H]1CCCN[C@H]21- InChIKey
KNVPOZMDXCHACQ-QXAKKESOSA-N- Molecular formula
- C19H22N2O
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.17321333
Names & identifiers
- Preferred name
- Benzenamine, 4-(2,3,4,4a,5,9b-hexahydro-7-methoxy-1H-indeno(1,2-b)pyridin-5-yl)-, (4a-alpha,5-alpha,9b-alpha)-
- IUPAC
- 4-[(4aS,5S,9bS)-7-methoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl]aniline
Names & synonyms
Benzenamine, 4-(2,3,4,4a,5,9b-hexahydro-7-methoxy-1H-indeno(1,2-b)pyridin-5-yl)-, (4a-alpha,5-alpha,9b-alpha)-88823-40-9RefChem:1078166BRN 5760701CHEMBL338491
Database identifiers
- CAS
88823-40-9- PubChem CID
- 55878
- ChEMBL
CHEMBL338491
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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