Basic information
- CAS
88763-42-2- Standard SMILES
COc1cc2c(cc1OC)[C@H]1NCCC[C@H]1[C@@H]2c1ccc(N)cc1- InChIKey
UTQZYUJKGSTGHD-GKCIPKSASA-N- Molecular formula
- C20H24N2O2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.18377801
Names & identifiers
- Preferred name
- Benzenamine, 4-(2,3,4,4a,5,9b-hexahydro-7,8-dimethoxy-1H-indeno(1,2-b)pyridin-5-yl)-, (4a-alpha,5-beta,9b-alpha)-
- IUPAC
- 4-[(4aS,5R,9bS)-7,8-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl]aniline
Names & synonyms
BRN 471152788763-42-2Benzenamine, 4-(2,3,4,4a,5,9b-hexahydro-7,8-dimethoxy-1H-indeno(1,2-b)pyridin-5-yl)-, (4a-alpha,5-beta,9b-alpha)-RefChem:322867CHEMBL136382DTXSID4010083724-[(4aS,5R,9bS)-7,8-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl]aniline4-(7,8-Dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline
Database identifiers
- CAS
88763-42-2- PubChem CID
- 55865
- DTXSID
DTXSID401008372- ChEMBL
CHEMBL136382
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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