2-[(Diethylamino)methyl]-4-methylphenyl benzoate

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Basic information

CAS: 6629-70-5
Standard SMILES: CCN(CC)Cc1cc(C)ccc1OC(=O)c1ccccc1
InChIKey: OHLURFXIUHMULJ-UHFFFAOYSA-N
Molecular formula: C19H23NO2
Average molar mass: 297.4 g/mol
Monoisotopic mass: 297.17287898

Names & identifiers

Preferred name: 2-[(Diethylamino)methyl]-4-methylphenyl benzoate
IUPAC: [2-(diethylaminomethyl)-4-methylphenyl] benzoate

Names & synonyms

6629-70-52-[(diethylamino)methyl]-4-methylphenyl benzoate[2-(diethylaminomethyl)-4-methylphenyl] benzoateNSC57990NCIOpen2_002494DTXSID50288891NSC-57990

Database identifiers

CAS: 6629-70-5
PubChem CID: 245757
DTXSID: DTXSID50288891

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 334

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Compound notes

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