methyl[2-(4-phenylphenoxy)ethyl]amine

• ChemBase ID: 123854
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: c1(c2ccccc2)ccc(cc1)OCCNC
• Canonical SMILES: CNCCOc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C15H17NO/c1-16-11-12-17-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3
• InChIKey: RWCLIYIRSQQWLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(4-phenylphenoxy)ethyl]amine
• IUPAC Traditional name: methyl[2-(4-phenylphenoxy)ethyl]amine
• Synonyms: 2-([1,1'-biphenyl]-4-yloxy)-N-methylethanamine

Database IDs

• PubChem SID: 162218207
• PubChem CID: 2199289

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.07558391
• LogD (pH = 7.4): 1.013852
• Log P: 3.0983965
• Molar Refractivity: 70.3818 cm^3
• Polarizability: 29.133793 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true