{1-[4-(2-methoxyphenyl)phenyl]ethyl}(methyl)amine

• ChemBase ID: 279426
• Molecular Formular: C16H19NO
• Molecular Mass: 241.32816
• Monoisotopic Mass: 241.14666423
• SMILES: c1(c2ccc(cc2)C(NC)C)c(OC)cccc1
• Canonical SMILES: CNC(c1ccc(cc1)c1ccccc1OC)C
• InChI: InChI=1S/C16H19NO/c1-12(17-2)13-8-10-14(11-9-13)15-6-4-5-7-16(15)18-3/h4-12,17H,1-3H3
• InChIKey: VUNASJSRFXGKOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[4-(2-methoxyphenyl)phenyl]ethyl}(methyl)amine
• IUPAC Traditional name: {1-[4-(2-methoxyphenyl)phenyl]ethyl}(methyl)amine
• Synonyms: {1-[4-(2-methoxyphenyl)phenyl]ethyl}(methyl)amine

Database IDs

• MDL Number: MFCD12860295
• PubChem SID: 164335336
• PubChem CID: 54595283

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.24223626
• LogD (pH = 7.4): 1.1930176
• Log P: 3.4377239
• Molar Refractivity: 75.3242 cm^3
• Polarizability: 30.980692 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.066

Product Information

• Purity: 95%