[2-(2-methoxyphenoxy)propyl](1-phenylethyl)amine

• ChemBase ID: 29013
• Molecular Formular: C18H23NO2
• Molecular Mass: 285.38072
• Monoisotopic Mass: 285.17287898
• SMILES: c1(OC(CNC(c2ccccc2)C)C)c(OC)cccc1
• Canonical SMILES: COc1ccccc1OC(CNC(c1ccccc1)C)C
• InChI: InChI=1S/C18H23NO2/c1-14(21-18-12-8-7-11-17(18)20-3)13-19-15(2)16-9-5-4-6-10-16/h4-12,14-15,19H,13H2,1-3H3
• InChIKey: GOELAECIDCMZCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-methoxyphenoxy)propyl](1-phenylethyl)amine
• IUPAC Traditional name: [2-(2-methoxyphenoxy)propyl](1-phenylethyl)amine
• Synonyms: N-[2-(2-Methoxyphenoxy)propyl]-N-(1-phenylethyl)amine

Database IDs

• MDL Number: MFCD10687665
• PubChem SID: 160992320
• PubChem CID: 46736197

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.68758357
• LogD (pH = 7.4): 1.8290628
• Log P: 3.851123
• Molar Refractivity: 85.159 cm^3
• Polarizability: 33.879948 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false