2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,11-dimethyl-6-ethyl-, beta-(+-)-
Basic information
- CAS
64043-80-7- Standard SMILES
CC[C@]12CCN(C)[C@@H](Cc3ccc(O)cc31)[C@H]2C- InChIKey
QGWPXULEDXWEKR-XFBWCDHKSA-N- Molecular formula
- C16H23NO
- Average molar mass
- 245.36 g/mol
- Monoisotopic mass
- 245.17796436
Names & identifiers
- Preferred name
- 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,11-dimethyl-6-ethyl-, beta-(+-)-
- IUPAC
- (1R,9S,13S)-1-ethyl-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Names & synonyms
2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,11-dimethyl-6-ethyl-, beta-(+-)-beta-(+-)-2'-Hydroxy-5-ethyl-2,9-dimethyl-6,7-benzomorphan64043-80-7
Database identifiers
- CAS
64043-80-7- PubChem CID
- 3048844
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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