2-methyl-N-phenylaniline

• ChemBase ID: 796182
• Molecular Formular: C13H13N
• Molecular Mass: 183.24902
• Monoisotopic Mass: 183.10479942
• SMILES: N(c1c(cccc1)C)c1ccccc1
• Canonical SMILES: Cc1ccccc1Nc1ccccc1
• InChI: InChI=1S/C13H13N/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h2-10,14H,1H3
• InChIKey: JTMODJXOTWYBOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-phenylaniline
• IUPAC Traditional name: 2-methyl-N-phenylaniline
• Synonyms: 2-Methyl-N-phenylaniline

Database IDs

• CAS Number: 1205-39-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.9265854
• LogD (pH = 7.4): 3.9265928
• Log P: 3.926593
• Molar Refractivity: 59.5854 cm^3
• Polarizability: 22.90443 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%