Basic information
- CAS
14578-59-7- Standard SMILES
CC1C2Cc3ccc(O)cc3C1(c1ccccc1)CCN2C- InChIKey
AUNUENZTLHCVBC-UHFFFAOYSA-N- Molecular formula
- C20H23NO
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.17796436
Overview
RN given refers to parent cpd with unspecified isomeric designation; structure
Names & identifiers
- Preferred name
- Gpa 1657
- IUPAC
- 10,13-dimethyl-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Names & synonyms
GPA 165714578-59-7RefChem:144216beta-5-Phenyl-9-methyl-2'-hydroxy-2-methyl-6,7-benzomorphan2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,11-dimethyl-6-phenyl-CHEMBL3249427DTXSID0093269010,13-Dimethyl-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol3,11-Dimethyl-6-phenyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
Database identifiers
- CAS
14578-59-7- PubChem CID
- 30504
- DTXSID
DTXSID00932690- ChEMBL
CHEMBL3249427
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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