4-(3,4-dimethylbenzoyl)aniline

• ChemBase ID: 310592
• Molecular Formular: C15H15NO
• Molecular Mass: 225.2857
• Monoisotopic Mass: 225.11536411
• SMILES: c1(C(=O)c2ccc(N)cc2)cc(c(cc1)C)C
• Canonical SMILES: Nc1ccc(cc1)C(=O)c1ccc(c(c1)C)C
• InChI: InChI=1S/C15H15NO/c1-10-3-4-13(9-11(10)2)15(17)12-5-7-14(16)8-6-12/h3-9H,16H2,1-2H3
• InChIKey: YDKUTIXKMCAGFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,4-dimethylbenzoyl)aniline
• IUPAC Traditional name: 4-(3,4-dimethylbenzoyl)aniline
• Synonyms: (4-aminophenyl)(3,4-dimethylphenyl)methanone

Database IDs

• CAS Number: 71969-25-0
• MDL Number: MFCD00446979

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.628862
• LogD (pH = 7.4): 3.6304948
• Log P: 3.6305156
• Molar Refractivity: 71.4163 cm^3
• Polarizability: 26.676449 Å^3
• Polar Surface Area: 43.09 Å^2