2-(4-aminophenyl)-N-methyl-N-phenylacetamide

• ChemBase ID: 261086
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: C(=O)(N(c1ccccc1)C)Cc1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)CC(=O)N(c1ccccc1)C
• InChI: InChI=1S/C15H16N2O/c1-17(14-5-3-2-4-6-14)15(18)11-12-7-9-13(16)10-8-12/h2-10H,11,16H2,1H3
• InChIKey: QRLQEHRLYHBDCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminophenyl)-N-methyl-N-phenylacetamide
• IUPAC Traditional name: 2-(4-aminophenyl)-N-methyl-N-phenylacetamide
• Synonyms: 2-(4-aminophenyl)-N-methyl-N-phenylacetamide

Database IDs

• MDL Number: MFCD09042642
• PubChem SID: 164316996
• PubChem CID: 427595

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0557547
• LogD (pH = 7.4): 2.0801165
• Log P: 2.0804362
• Molar Refractivity: 73.4592 cm^3
• Polarizability: 27.796373 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.648

Product Information

• Purity: 95%