1,3-Benzodioxole, 2-methyl-2-(2-(N-methyl-N-phenethylamino)ethyl)-, hydrochloride

HCID 47541

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Basic information

CAS: 65210-32-4
Standard SMILES: C[NH+](CCc1ccccc1)CCC1(C)Oc2ccccc2O1.[Cl-]
InChIKey: CYCWLUDUJPXWHU-UHFFFAOYSA-N
Molecular formula: C19H24ClNO2
Average molar mass: 333.8 g/mol
Monoisotopic mass: 333.1495567

Names & identifiers

Preferred name: 1,3-Benzodioxole, 2-methyl-2-(2-(N-methyl-N-phenethylamino)ethyl)-, hydrochloride
IUPAC: methyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]-(2-phenylethyl)azanium chloride

Names & synonyms

1,3-Benzodioxole, 2-methyl-2-(2-(N-methyl-N-phenethylamino)ethyl)-, hydrochloride65210-32-4RefChem:10526952-Methyl-2-(2-(N-methyl-N-phenethylamino)ethyl)-1,3-benzodioxole hydrochloride

Database identifiers

CAS: 65210-32-4
PubChem CID: 47541

Properties

Computed structural properties

Topological polar surface area: 22.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 23
Formal charge: 0
Complexity: 326

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