2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-3-methyl-
Basic information
- CAS
21506-46-7- Standard SMILES
CN1CCC2CC1Cc1ccccc12- InChIKey
VHLFDGOYHXRPRG-UHFFFAOYSA-N- Molecular formula
- C13H17N
- Average molar mass
- 187.28 g/mol
- Monoisotopic mass
- 187.13609955
Names & identifiers
- Preferred name
- 2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-3-methyl-
- IUPAC
- 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
Names & synonyms
2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-3-methyl-21506-46-7CHEMBL3245241SCHEMBL12371993DTXSID602758733-Methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine
Database identifiers
- CAS
21506-46-7- PubChem CID
- 90868
- DTXSID
DTXSID60275873- ChEMBL
CHEMBL3245241- Nikkaji
- J1.606.117D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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