4-methoxy-N-(1-phenylethyl)aniline

• ChemBase ID: 71542
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: c1ccc(C(C)Nc2ccc(cc2)OC)cc1
• Canonical SMILES: COc1ccc(cc1)NC(c1ccccc1)C
• InChI: InChI=1S/C15H17NO/c1-12(13-6-4-3-5-7-13)16-14-8-10-15(17-2)11-9-14/h3-12,16H,1-2H3
• InChIKey: QKBUMGWVDNFABU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-(1-phenylethyl)aniline
• IUPAC Traditional name: 4-methoxy-N-(1-phenylethyl)aniline
• Synonyms: (4-Methoxyphenyl)(1-phenylethyl)amine

Database IDs

• PubChem SID: 162103715
• PubChem CID: 3849761

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3373256
• LogD (pH = 7.4): 3.4281106
• Log P: 3.429401
• Molar Refractivity: 71.7464 cm^3
• Polarizability: 27.298594 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT