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

HCID 44035

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Basic information

CAS: 62374-16-7
Standard SMILES: C[NH2+]CC1=C(c2ccc(Cl)cc2)C2CCC1CC2.[Cl-]
InChIKey: UWHBMOKVZSUOAJ-UHFFFAOYSA-N
Molecular formula: C16H21Cl2N
Average molar mass: 298.2 g/mol
Monoisotopic mass: 297.1051051

Names & identifiers

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

Names & synonyms

Bicyclo(2.2.2)oct-2-ene-2-methylamine, 3-(p-chlorophenyl)-N-methyl-, hydrochloride2-(p-Chlorophenyl)-3-(methylaminomethyl)bicyclo(2.2.2)oct-2-ene, hydrochloride62374-16-7RefChem:329251

Database identifiers

CAS: 62374-16-7
PubChem CID: 44035

Properties

Computed structural properties

Topological polar surface area: 16.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 320

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