3,6-Dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
Basic information
- CAS
20649-16-5- Standard SMILES
CN1CCC2(C)CC1Cc1ccc(O)cc12- InChIKey
SGPDQCOZBVOUMT-UHFFFAOYSA-N- Molecular formula
- C14H19NO
- Average molar mass
- 217.31 g/mol
- Monoisotopic mass
- 217.14666423
Names & identifiers
- Preferred name
- 3,6-Dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
- IUPAC
- 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Names & synonyms
3,6-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol20649-16-5DTXSID10942846RefChem:1066082DTXCID7013712312,5-Dimethyl-2'-hydroxy-6:7-benzomorphan(+-)-2'-Hydroxy-2,5-dimethyl-6,7-benzomorphan2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-3,6-dimethyl-8-hydroxy-3,6-Dimethyl-8-hydroxy-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,6-dimethyl-, (+-)-NCIOpen2_00224920649-36-9
Show more names
SCHEMBL1206143
Database identifiers
- CAS
20649-16-5、20649-36-9- PubChem CID
- 209864
- DTXSID
DTXSID10942846- Nikkaji
- J66.286K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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