benzyl[(4-methoxyphenyl)methyl]amine hydrochloride

• ChemBase ID: 13907
• Molecular Formular: C15H18ClNO
• Molecular Mass: 263.76252
• Monoisotopic Mass: 263.10769188
• SMILES: c1(ccc(cc1)OC)CNCc1ccccc1.Cl
• Canonical SMILES: COc1ccc(cc1)CNCc1ccccc1.Cl
• InChI: InChI=1S/C15H17NO.ClH/c1-17-15-9-7-14(8-10-15)12-16-11-13-5-3-2-4-6-13;/h2-10,16H,11-12H2,1H3;1H
• InChIKey: JMPZAMYPMKKDIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[(4-methoxyphenyl)methyl]amine hydrochloride
• IUPAC Traditional name: benzyl[(4-methoxyphenyl)methyl]amine hydrochloride
• Synonyms: 4-Methoxydibenzylamine hydrochloride

Database IDs

• MDL Number: MFCD00574307
• PubChem SID: 160977214
• PubChem CID: 5338132

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.036935624
• LogD (pH = 7.4): 1.4693869
• Log P: 3.0983965
• Molar Refractivity: 70.3818 cm^3
• Polarizability: 27.699884 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false