Basic information
- CAS
88763-33-1- Standard SMILES
COc1ccc2c(c1)[C@@H](c1ccc(N(C)C)cc1)[C@@H]1CCCN[C@H]21- InChIKey
JVUDMSRLJGZBNB-SESVDKBCSA-N- Molecular formula
- C21H26N2O
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.20451346
Names & identifiers
- Preferred name
- Benzenamine, N,N-dimethyl-4-(2,3,4,4a,5,9b-hexahydro-7-methoxy-1H-indeno(1,2-b)pyridin-5-yl)-, (4a-alpha,5-beta,9b-alpha)-
- IUPAC
- 4-[(4aS,5R,9bS)-7-methoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl]-N,N-dimethylaniline
Names & synonyms
BRN 576375688763-33-1Benzenamine, N,N-dimethyl-4-(2,3,4,4a,5,9b-hexahydro-7-methoxy-1H-indeno(1,2-b)pyridin-5-yl)-, (4a-alpha,5-beta,9b-alpha)-RefChem:322953CHEMBL337137DTXSID3010083674-[(4aS,5R,9bS)-7-methoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl]-N,N-dimethylaniline4-(7-Methoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)-N,N-dimethylaniline
Database identifiers
- CAS
88763-33-1- PubChem CID
- 55862
- DTXSID
DTXSID301008367- ChEMBL
CHEMBL337137
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 24.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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