N-methyl-2-phenylaniline

• ChemBase ID: 69059
• Molecular Formular: C13H13N
• Molecular Mass: 183.24902
• Monoisotopic Mass: 183.10479942
• SMILES: c1(c(cccc1)NC)c1ccccc1
• Canonical SMILES: CNc1ccccc1c1ccccc1
• InChI: InChI=1S/C13H13N/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10,14H,1H3
• InChIKey: CARILLOXVAEKID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-phenylaniline
• IUPAC Traditional name: N-methyl-2-phenylaniline
• Synonyms: N-Methylbiphenyl-2-amine

Database IDs

• CAS Number: 14925-09-8
• MDL Number: MFCD00179576
• PubChem SID: 162034788
• PubChem CID: 12246986

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.070926
• LogD (pH = 7.4): 3.092961
• Log P: 3.0932493
• Molar Refractivity: 61.388 cm^3
• Polarizability: 24.443628 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%