2-(3-methoxyphenyl)aniline

• ChemBase ID: 306537
• Molecular Formular: C13H13NO
• Molecular Mass: 199.24842
• Monoisotopic Mass: 199.09971404
• SMILES: c1(c2c(N)cccc2)cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1ccccc1N
• InChI: InChI=1S/C13H13NO/c1-15-11-6-4-5-10(9-11)12-7-2-3-8-13(12)14/h2-9H,14H2,1H3
• InChIKey: JMQIDJIQNGOLKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenyl)aniline
• IUPAC Traditional name: 2-(3-methoxyphenyl)aniline
• Synonyms: (3'-methoxybiphenyl-2-yl)amine

Database IDs

• CAS Number: 38089-02-0
• MDL Number: MFCD03424651

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6234343
• LogD (pH = 7.4): 2.633741
• Log P: 2.633874
• Molar Refractivity: 62.3578 cm^3
• Polarizability: 25.027935 Å^3
• Polar Surface Area: 35.25 Å^2