4-(Dimethylamino)-1-[2-(2-phenylethyl)phenyl]butan-1-one

HCID 23910

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Basic information

CAS: 5505-01-1
Standard SMILES: CN(C)CCCC(=O)c1ccccc1CCc1ccccc1
InChIKey: VTAMOOMETSQUBE-UHFFFAOYSA-N
Molecular formula: C20H25NO
Average molar mass: 295.4 g/mol
Monoisotopic mass: 295.19361442

Names & identifiers

Preferred name: 4-(Dimethylamino)-1-[2-(2-phenylethyl)phenyl]butan-1-one
IUPAC: 4-(dimethylamino)-1-[2-(2-phenylethyl)phenyl]butan-1-one
English name: 4-Dimethylamino-1-(2-phenethyl-phenyl)-butan-1-one
Molecular formula: C20H25NO
Molecular weight: 295.42

Names & synonyms

5505-01-14-(dimethylamino)-1-[2-(2-phenylethyl)phenyl]butan-1-oneDTXSID902747534-Dimethylamino-1-(2-phenethyl-phenyl)-butan-1-one1-Butanone, 4-(dimethylamino)-1-[2-(2-phenylethyl)phenyl]-

Database identifiers

CAS: 5505-01-1
PubChem CID: 23910
DTXSID: DTXSID90274753

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 320

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