benzyl[2-(4-methoxyphenyl)ethyl]amine

• ChemBase ID: 268861
• Molecular Formular: C16H19NO
• Molecular Mass: 241.32816
• Monoisotopic Mass: 241.14666423
• SMILES: c1(ccc(cc1)CCNCc1ccccc1)OC
• Canonical SMILES: COc1ccc(cc1)CCNCc1ccccc1
• InChI: InChI=1S/C16H19NO/c1-18-16-9-7-14(8-10-16)11-12-17-13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3
• InChIKey: XHHDGXBYSDCBSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[2-(4-methoxyphenyl)ethyl]amine
• IUPAC Traditional name: benzyl[2-(4-methoxyphenyl)ethyl]amine
• Synonyms: benzyl[2-(4-methoxyphenyl)ethyl]amine

Database IDs

• MDL Number: MFCD01135706
• PubChem SID: 164324771
• PubChem CID: 2163770

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.17615367
• LogD (pH = 7.4): 0.9826646
• Log P: 3.3870578
• Molar Refractivity: 75.1368 cm^3
• Polarizability: 29.468449 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.526

Product Information

• Purity: 95%