3-(2-Dimethylaminoethyl)-3,5-diphenylpentan-2-one

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Basic information

CAS: 5441-27-0
Standard SMILES: CC(=O)C(CCc1ccccc1)(CCN(C)C)c1ccccc1
InChIKey: HIGLEGFIFRRHOW-UHFFFAOYSA-N
Molecular formula: C21H27NO
Average molar mass: 309.4 g/mol
Monoisotopic mass: 309.20926449

Names & identifiers

Preferred name: 3-(2-Dimethylaminoethyl)-3,5-diphenylpentan-2-one
IUPAC: 3-[2-(dimethylamino)ethyl]-3,5-diphenylpentan-2-one

Names & synonyms

5441-27-03-(2-dimethylaminoethyl)-3,5-diphenylpentan-2-oneNSC21267DTXSID40328336NSC-21267DS-0045213-(2-dimethylaminoethyl)-3,5-diphenyl-pentan-2-one3-[2-(Dimethylamino)ethyl]-3,5-diphenylpentan-2-one

Database identifiers

CAS: 5441-27-0
PubChem CID: 409450
DTXSID: DTXSID40328336

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 353

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