2-(4-methoxyphenyl)aniline

• ChemBase ID: 19396
• Molecular Formular: C13H13NO
• Molecular Mass: 199.24842
• Monoisotopic Mass: 199.09971404
• SMILES: c1(c2ccc(cc2)OC)c(N)cccc1
• Canonical SMILES: COc1ccc(cc1)c1ccccc1N
• InChI: InChI=1S/C13H13NO/c1-15-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14/h2-9H,14H2,1H3
• InChIKey: AUUXOXVQBXLAKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)aniline
• IUPAC Traditional name: 2-(4-methoxyphenyl)aniline
• Synonyms: (4'-methoxybiphenyl-2-yl)amine; 4'-Methoxy[1,1'-biphenyl]-2-amine; 4'-METHOXY-BIPHENYL-2-YLAMINE

Database IDs

• CAS Number: 38089-03-1
• MDL Number: MFCD03424652
• PubChem SID: 160982703
• PubChem CID: 2759562

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.620363
• LogD (pH = 7.4): 2.633701
• Log P: 2.633874
• Molar Refractivity: 62.3578 cm^3
• Polarizability: 25.024967 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%