3-(4-aminophenyl)-N,N-dimethylbenzamide

• ChemBase ID: 290530
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: O=C(c1cc(c2ccc(N)cc2)ccc1)N(C)C
• Canonical SMILES: Nc1ccc(cc1)c1cccc(c1)C(=O)N(C)C
• InChI: InChI=1S/C15H16N2O/c1-17(2)15(18)13-5-3-4-12(10-13)11-6-8-14(16)9-7-11/h3-10H,16H2,1-2H3
• InChIKey: WHDYNEJPKZVKCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-aminophenyl)-N,N-dimethylbenzamide
• IUPAC Traditional name: 3-(4-aminophenyl)-N,N-dimethylbenzamide
• Synonyms: 4'-Amino-N,N-dimethyl-[1,1'-biphenyl]-3-carboxamide

Database IDs

• CAS Number: 1335041-49-0
• PubChem SID: 180676061
• PubChem CID: 54758775

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.077926
• LogD (pH = 7.4): 2.0893896
• Log P: 2.0895376
• Molar Refractivity: 74.7664 cm^3
• Polarizability: 28.975498 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%