2-(3-methoxyphenyl)-1-phenylethan-1-amine

• ChemBase ID: 238051
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: C(Cc1cc(OC)ccc1)(c1ccccc1)N
• Canonical SMILES: COc1cccc(c1)CC(c1ccccc1)N
• InChI: InChI=1S/C15H17NO/c1-17-14-9-5-6-12(10-14)11-15(16)13-7-3-2-4-8-13/h2-10,15H,11,16H2,1H3
• InChIKey: XOYULUHRZSJAEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenyl)-1-phenylethan-1-amine
• IUPAC Traditional name: 2-(3-methoxyphenyl)-1-phenylethanamine
• Synonyms: 2-(3-methoxyphenyl)-1-phenylethan-1-amine

Database IDs

• MDL Number: MFCD09805326
• PubChem SID: 164293961
• PubChem CID: 13891382

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.011604167
• LogD (pH = 7.4): 0.81005335
• Log P: 3.0142443
• Molar Refractivity: 70.0324 cm^3
• Polarizability: 27.621258 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.89

Product Information

• Purity: 95%