4-methoxy-3-(4-methoxyphenyl)aniline hydrochloride

• ChemBase ID: 248934
• Molecular Formular: C14H16ClNO2
• Molecular Mass: 265.73534
• Monoisotopic Mass: 265.08695644
• SMILES: c1(c2ccc(cc2)OC)c(ccc(c1)N)OC.Cl
• Canonical SMILES: COc1ccc(cc1)c1cc(N)ccc1OC.Cl
• InChI: InChI=1S/C14H15NO2.ClH/c1-16-12-6-3-10(4-7-12)13-9-11(15)5-8-14(13)17-2;/h3-9H,15H2,1-2H3;1H
• InChIKey: HEVXYYHVBBXFLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-3-(4-methoxyphenyl)aniline hydrochloride
• IUPAC Traditional name: 4-methoxy-3-(4-methoxyphenyl)aniline hydrochloride
• Synonyms: 4',6-dimethoxy-1,1'-biphenyl-3-amine hydrochloride

Database IDs

• MDL Number: MFCD06680111
• PubChem SID: 164304844
• PubChem CID: 16247919

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3690798
• LogD (pH = 7.4): 2.4746735
• Log P: 2.4762027
• Molar Refractivity: 68.821 cm^3
• Polarizability: 27.49155 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.273

Product Information

• Purity: 95%
• Salt Data: HCl