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

• ChemBase ID: 290674
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: O=C(c1ccc(c2ccc(N)cc2)cc1)N(C)C
• Canonical SMILES: CN(C(=O)c1ccc(cc1)c1ccc(cc1)N)C
• InChI: InChI=1S/C15H16N2O/c1-17(2)15(18)13-5-3-11(4-6-13)12-7-9-14(16)10-8-12/h3-10H,16H2,1-2H3
• InChIKey: UALKREGOHDLMRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 166386-41-0
• PubChem SID: 180676205
• PubChem CID: 54758774

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0779693
• LogD (pH = 7.4): 2.08939
• Log P: 2.0895376
• Molar Refractivity: 74.7664 cm^3
• Polarizability: 28.975548 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%