4-methoxy-N-(2-phenylethyl)aniline

• ChemBase ID: 277391
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: N(c1ccc(cc1)OC)CCc1ccccc1
• Canonical SMILES: COc1ccc(cc1)NCCc1ccccc1
• InChI: InChI=1S/C15H17NO/c1-17-15-9-7-14(8-10-15)16-12-11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3
• InChIKey: JAKMFKLSODSWBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-(2-phenylethyl)aniline
• IUPAC Traditional name: 4-methoxy-N-(2-phenylethyl)aniline
• Synonyms: 4-methoxy-N-(2-phenylethyl)aniline

Database IDs

• MDL Number: MFCD11058389
• PubChem SID: 164333301
• PubChem CID: 12709912

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7566028
• LogD (pH = 7.4): 3.2879019
• Log P: 3.301487
• Molar Refractivity: 72.0826 cm^3
• Polarizability: 27.222075 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.841

Product Information

• Purity: 95%