Basic information
- CAS
88763-21-7- Standard SMILES
Nc1ccc([C@@H]2c3cc(O)ccc3[C@H]3NCCC[C@@H]23)cc1- InChIKey
JXGVJGULDBBMPP-RYQLBKOJSA-N- Molecular formula
- C18H20N2O
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.15756327
Names & identifiers
- Preferred name
- 1H-Indeno(1,2-b)pyridin-7-ol, 2,3,4,4a,5,9b-hexahydro-5-(4-aminophenyl)-, (4a-alpha,5-alpha,9b-alpha)-
- IUPAC
- (4aS,5R,9bS)-5-(4-aminophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-7-ol
Names & synonyms
BRN 47045031H-Indeno(1,2-b)pyridin-7-ol, 2,3,4,4a,5,9b-hexahydro-5-(4-aminophenyl)-, (4a-alpha,5-alpha,9b-alpha)-88763-21-7RefChem:238598CHEMBL435222DTXSID101008361(4aS,5R,9bS)-5-(4-aminophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-7-ol5-(4-Aminophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-7-ol
Database identifiers
- CAS
88763-21-7- PubChem CID
- 55854
- DTXSID
DTXSID101008361- ChEMBL
CHEMBL435222
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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