[3-(furan-2-yl)-3-(4-methylphenyl)propyl](1-phenylethyl)amine

• ChemBase ID: 193067
• Molecular Formular: C22H25NO
• Molecular Mass: 319.44
• Monoisotopic Mass: 319.19361443
• SMILES: c1(occc1)C(c1ccc(cc1)C)CCNC(c1ccccc1)C
• Canonical SMILES: Cc1ccc(cc1)C(c1ccco1)CCNC(c1ccccc1)C
• InChI: InChI=1S/C22H25NO/c1-17-10-12-20(13-11-17)21(22-9-6-16-24-22)14-15-23-18(2)19-7-4-3-5-8-19/h3-13,16,18,21,23H,14-15H2,1-2H3
• InChIKey: AYTJUZWKPKBBCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(furan-2-yl)-3-(4-methylphenyl)propyl](1-phenylethyl)amine
• IUPAC Traditional name: [3-(furan-2-yl)-3-(4-methylphenyl)propyl](1-phenylethyl)amine

Database IDs

• PubChem SID: 164248977
• PubChem CID: 3695652

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.106661
• LogD (pH = 7.4): 2.8541563
• Log P: 5.32241
• Molar Refractivity: 99.8461 cm^3
• Polarizability: 38.86865 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds