[4-(4-methoxyphenyl)phenyl]methanamine hydrochloride

• ChemBase ID: 282766
• Molecular Formular: C14H16ClNO
• Molecular Mass: 249.73594
• Monoisotopic Mass: 249.09204182
• SMILES: c1(c2ccc(cc2)CN)ccc(cc1)OC.Cl
• Canonical SMILES: NCc1ccc(cc1)c1ccc(cc1)OC.Cl
• InChI: InChI=1S/C14H15NO.ClH/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12;/h2-9H,10,15H2,1H3;1H
• InChIKey: WWPUDZBHVGASFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(4-methoxyphenyl)phenyl]methanamine hydrochloride
• IUPAC Traditional name: [4-(4-methoxyphenyl)phenyl]methanamine hydrochloride
• Synonyms: [4-(4-methoxyphenyl)phenyl]methanamine hydrochloride

Database IDs

• MDL Number: MFCD08544236
• PubChem SID: 180668297
• PubChem CID: 54595501

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.39851674
• LogD (pH = 7.4): 0.54712176
• Log P: 2.5885684
• Molar Refractivity: 66.1308 cm^3
• Polarizability: 27.282404 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 298 - 300°C
• Hydrophobicity(logP): 2.901

Product Information

• Purity: 95%