Basic information
- CAS
63794-49-0- Standard SMILES
C[NH+](C)C[C@@H]1C2CCC(CC2)C1c1cccc(Cl)c1.[Cl-]- InChIKey
BFFCLLYUCFWJSF-YXRIWLDLSA-N- Molecular formula
- C17H25Cl2N
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 313.1364052
Names & identifiers
- Preferred name
- Bicyclo(2.2.2)octane-2-methylamine, 3-(m-chlorophenyl)-N,N-dimethyl-, hydrochloride, (E)-
- IUPAC
- [(2R)-3-(3-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methyl-dimethylazanium chloride
Names & synonyms
63794-49-0Bicyclo(2.2.2)octane-2-methylamine, 3-(m-chlorophenyl)-N,N-dimethyl-, hydrochloride, (E)-RefChem:1079783(E)-2-(m-Chlorophenyl)-3-(dimethylaminomethyl)bicyclo(2.2.2)octane, hydrochloride
Database identifiers
- CAS
63794-49-0- PubChem CID
- 44771
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…