Bicyclo(2.2.2)oct-2-ene-2-methylamine, 3-(p-chlorophenyl)-N,N-dimethyl-, hydrochloride

HCID 44037

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Basic information

CAS: 62374-17-8
Standard SMILES: C[NH+](C)CC1=C(c2ccc(Cl)cc2)C2CCC1CC2.[Cl-]
InChIKey: ULHPIDRGOCDJKH-UHFFFAOYSA-N
Molecular formula: C17H23Cl2N
Average molar mass: 312.3 g/mol
Monoisotopic mass: 311.1207551

Names & identifiers

Preferred name: Bicyclo(2.2.2)oct-2-ene-2-methylamine, 3-(p-chlorophenyl)-N,N-dimethyl-, hydrochloride
IUPAC: [3-(4-chlorophenyl)-2-bicyclo[2.2.2]oct-2-enyl]methyl-dimethylazanium chloride

Names & synonyms

Bicyclo(2.2.2)oct-2-ene-2-methylamine, 3-(p-chlorophenyl)-N,N-dimethyl-, hydrochloride2-(p-Chlorophenyl)-3-(dimethylaminomethyl)bicyclo(2.2.2)oct-2-ene, hydrochloride62374-17-8RefChem:329250

Database identifiers

CAS: 62374-17-8
PubChem CID: 44037

Properties

Computed structural properties

Topological polar surface area: 4.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 344

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