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

HCID 44045

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Basic information

CAS: 62420-71-7
Standard SMILES: C[NH+](C)CC1=C(c2ccc(Cl)c(Cl)c2)C2CCC1CC2.[Cl-]
InChIKey: YRCGGPDKWCYLTC-UHFFFAOYSA-N
Molecular formula: C17H22Cl3N
Average molar mass: 346.7 g/mol
Monoisotopic mass: 345.081783

Names & identifiers

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

Names & synonyms

Bicyclo(2.2.2)oct-2-ene-2-methylamine, 3-(3,4-dichlorophenyl)-N,N-dimethyl-, hydrochloride2-(3,4-Dichlorophenyl)-3-(dimethylaminomethyl)bicyclo(2.2.2)oct-2-ene, hydrochloride62420-71-7RefChem:329248

Database identifiers

CAS: 62420-71-7
PubChem CID: 44045

Properties

Computed structural properties

Topological polar surface area: 4.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 382

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