Basic information
- CAS
88823-41-0- Standard SMILES
Cc1ccc([C@@H]2c3cc(O)ccc3[C@H]3NCCC[C@@H]23)cc1N- InChIKey
JLLFIEWMBLYKSN-ZYSHUDEJSA-N- Molecular formula
- C19H22N2O
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.17321333
Names & identifiers
- Preferred name
- 1H-Indeno(1,2-b)pyridin-7-ol, 2,3,4,4a,5,9b-hexahydro-5-(3-amino-4-methylphenyl)-, (4a-alpha,5-alpha,9b-alpha)-
- IUPAC
- (4aS,5R,9bS)-5-(3-amino-4-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-7-ol
Names & synonyms
1H-Indeno(1,2-b)pyridin-7-ol, 2,3,4,4a,5,9b-hexahydro-5-(3-amino-4-methylphenyl)-, (4a-alpha,5-alpha,9b-alpha)-88823-41-0RefChem:1058137BRN 5760700CHEMBL336091
Database identifiers
- CAS
88823-41-0- PubChem CID
- 55879
- ChEMBL
CHEMBL336091
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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