1H-Indeno(1,2-b)pyridin-7-ol, 2,3,4,4a,5,9b-hexahydro-5-(4-(dimethylamino)phenyl)-, (4a-alpha,5-beta,9b-alpha)-
Basic information
- CAS
88763-35-3- Standard SMILES
CN(C)c1ccc([C@H]2c3cc(O)ccc3[C@H]3NCCC[C@@H]23)cc1- InChIKey
QEQTUJBNOVLWJM-DFQSSKMNSA-N- Molecular formula
- C20H24N2O
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.18886339
Names & identifiers
- Preferred name
- 1H-Indeno(1,2-b)pyridin-7-ol, 2,3,4,4a,5,9b-hexahydro-5-(4-(dimethylamino)phenyl)-, (4a-alpha,5-beta,9b-alpha)-
- IUPAC
- (4aS,5S,9bS)-5-[4-(dimethylamino)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-7-ol
Names & synonyms
BRN 57627711H-Indeno(1,2-b)pyridin-7-ol, 2,3,4,4a,5,9b-hexahydro-5-(4-(dimethylamino)phenyl)-, (4a-alpha,5-beta,9b-alpha)-88763-35-3RefChem:238597CHEMBL137544DTXSID0010083685-[4-(Dimethylamino)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-7-ol(4aS,5S,9bS)-5-[4-(dimethylamino)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-7-ol
Database identifiers
- CAS
88763-35-3- PubChem CID
- 55863
- DTXSID
DTXSID001008368- ChEMBL
CHEMBL137544
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 404
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Compound notes
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