1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl benzoate

HCID 49019

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Basic information

CAS: 67032-35-3
Standard SMILES: COc1ccc(C(CN(C)C)OC(=O)c2ccccc2)cc1OC
InChIKey: PWQJKNJUEZPPKO-UHFFFAOYSA-N
Molecular formula: C19H23NO4
Average molar mass: 329.4 g/mol
Monoisotopic mass: 329.16270821

Names & identifiers

Preferred name: 1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl benzoate
IUPAC: [1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl] benzoate
English name: 1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl=benzoate
Molecular formula: C19H23NO4
Molecular weight: 329.39022

Names & synonyms

67032-35-3DTXSID309859721-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl benzoateRefChem:1054098DTXCID201413161beta-Benzoyloxy-beta-3,4-dimethoxyphenylethyl dimethylamineBENZOIC ACID, 1-(3,4-DIMETHOXYPHENYL)-2-(DIMETHYLAMINO)ETHYL ESTER1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl=benzoate

Database identifiers

CAS: 67032-35-3
PubChem CID: 49019
DTXSID: DTXSID30985972
Nikkaji: J83.360F

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 48 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 382

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