4-(2-methylphenyl)aniline

• ChemBase ID: 310417
• Molecular Formular: C13H13N
• Molecular Mass: 183.24902
• Monoisotopic Mass: 183.10479942
• SMILES: c1(c2ccc(N)cc2)c(C)cccc1
• Canonical SMILES: Nc1ccc(cc1)c1ccccc1C
• InChI: InChI=1S/C13H13N/c1-10-4-2-3-5-13(10)11-6-8-12(14)9-7-11/h2-9H,14H2,1H3
• InChIKey: QBYQOTZDHUGJAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methylphenyl)aniline
• IUPAC Traditional name: 4-(2-methylphenyl)aniline
• Synonyms: (2'-methylbiphenyl-4-yl)amine

Database IDs

• CAS Number: 1204-41-7
• MDL Number: MFCD01740419

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.27746
• LogD (pH = 7.4): 3.304609
• Log P: 3.3049667
• Molar Refractivity: 60.9358 cm^3
• Polarizability: 24.355463 Å^3
• Polar Surface Area: 26.02 Å^2