Bicyclo(2.2.2)oct-2-ene-2-methylamine, 3-(3,4-dichlorophenyl)-N-methyl-, hydrochloride

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Basic information

CAS: 62374-07-6
Standard SMILES: C[NH2+]CC1=C(c2ccc(Cl)c(Cl)c2)C2CCC1CC2.[Cl-]
InChIKey: TVSRNCDLBDQCCC-UHFFFAOYSA-N
Molecular formula: C16H20Cl3N
Average molar mass: 332.7 g/mol
Monoisotopic mass: 331.066133

Names & identifiers

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

Names & synonyms

Bicyclo(2.2.2)oct-2-ene-2-methylamine, 3-(3,4-dichlorophenyl)-N-methyl-, hydrochloride2-(3,4-Dichlorophenyl)-3-(methylaminomethyl)bicyclo(2.2.2)oct-2-ene, hydrochloride62374-07-6RefChem:329249

Database identifiers

CAS: 62374-07-6
PubChem CID: 44025

Properties

Computed structural properties

Topological polar surface area: 16.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 358

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