Basic information
- CAS
21506-45-6- Standard SMILES
CN1CCC2CC1Cc1ccc(O)cc12- InChIKey
JANBJBABWKFLQT-UHFFFAOYSA-N- Molecular formula
- C13H17NO
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.13101417
Names & identifiers
- Preferred name
- 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3-methyl-
- IUPAC
- 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Names & synonyms
21506-45-62,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3-methyl-SCHEMBL20245626DTXSID402768833-Methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
Database identifiers
- CAS
21506-45-6- PubChem CID
- 211396
- DTXSID
DTXSID40276883
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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