2-(2-methoxyphenyl)aniline

• ChemBase ID: 18858
• Molecular Formular: C13H13NO
• Molecular Mass: 199.24842
• Monoisotopic Mass: 199.09971404
• SMILES: c1(c2c(OC)cccc2)c(N)cccc1
• Canonical SMILES: COc1ccccc1c1ccccc1N
• InChI: InChI=1S/C13H13NO/c1-15-13-9-5-3-7-11(13)10-6-2-4-8-12(10)14/h2-9H,14H2,1H3
• InChIKey: ZSGCLJMSDWOQAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)aniline
• IUPAC Traditional name: 2-(2-methoxyphenyl)aniline
• Synonyms: 2'-Methoxy-biphenyl-2-ylamine

Database IDs

• CAS Number: 1206-76-4
• MDL Number: MFCD00661637
• PubChem SID: 160982165
• PubChem CID: 818690

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6266832
• LogD (pH = 7.4): 2.6337826
• Log P: 2.633874
• Molar Refractivity: 62.3578 cm^3
• Polarizability: 25.03077 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