{[4-(2-methoxyphenyl)phenyl]methyl}(propan-2-yl)amine

• ChemBase ID: 279439
• Molecular Formular: C17H21NO
• Molecular Mass: 255.35474
• Monoisotopic Mass: 255.1623143
• SMILES: c1(c2ccc(CNC(C)C)cc2)c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1ccc(cc1)CNC(C)C
• InChI: InChI=1S/C17H21NO/c1-13(2)18-12-14-8-10-15(11-9-14)16-6-4-5-7-17(16)19-3/h4-11,13,18H,12H2,1-3H3
• InChIKey: UGVJJVCKMNWIBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[4-(2-methoxyphenyl)phenyl]methyl}(propan-2-yl)amine
• IUPAC Traditional name: isopropyl({[4-(2-methoxyphenyl)phenyl]methyl})amine
• Synonyms: {[4-(2-methoxyphenyl)phenyl]methyl}(propan-2-yl)amine

Database IDs

• MDL Number: MFCD12860299
• PubChem SID: 164335349
• PubChem CID: 53434890

CALCULATED PROPERTIES

• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5911878
• LogD (pH = 7.4): 1.4751256
• Log P: 3.7945318
• Molar Refractivity: 80.0728 cm^3
• Polarizability: 32.82775 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.595

Product Information

• Purity: 95%