1-[4-(2-methoxyphenyl)phenyl]ethan-1-amine

• ChemBase ID: 279435
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: c1(c2ccc(cc2)C(N)C)c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1ccc(cc1)C(N)C
• InChI: InChI=1S/C15H17NO/c1-11(16)12-7-9-13(10-8-12)14-5-3-4-6-15(14)17-2/h3-11H,16H2,1-2H3
• InChIKey: SWUCPINBVVKIIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(2-methoxyphenyl)phenyl]ethan-1-amine
• IUPAC Traditional name: 1-[4-(2-methoxyphenyl)phenyl]ethanamine
• Synonyms: 1-[4-(2-methoxyphenyl)phenyl]ethan-1-amine

Database IDs

• MDL Number: MFCD12860302
• PubChem SID: 164335345
• PubChem CID: 54595290

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.001273958
• LogD (pH = 7.4): 0.78532577
• Log P: 3.0051434
• Molar Refractivity: 70.5496 cm^3
• Polarizability: 29.134182 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.65

Product Information

• Purity: 95%