2-(2-methoxyphenyl)aniline hydrochloride

• ChemBase ID: 91654
• Molecular Formular: C13H14ClNO
• Molecular Mass: 235.70936
• Monoisotopic Mass: 235.07639175
• SMILES: O(c1ccccc1c1c(cccc1)N)C.Cl
• Canonical SMILES: COc1ccccc1c1ccccc1N.Cl
• InChI: InChI=1S/C13H13NO.ClH/c1-15-13-9-5-3-7-11(13)10-6-2-4-8-12(10)14;/h2-9H,14H2,1H3;1H
• InChIKey: VWWJTRCFFIUIAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)aniline hydrochloride
• IUPAC Traditional name: 2-(2-methoxyphenyl)aniline hydrochloride
• Synonyms: 2-(2-Methoxyphenyl)aniline hydrochloride; 2-Amino-2'-methoxybiphenyl hydrochloride

Database IDs

• MDL Number: MFCD00453405
• PubChem SID: 162078353
• PubChem CID: 44119723

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