[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl][(2E)-3-phenylprop-2-en-1-yl]amine

• ChemBase ID: 213151
• Molecular Formular: C23H25NO2
• Molecular Mass: 347.4501
• Monoisotopic Mass: 347.18852905
• SMILES: c1(C(c2c(OC)cccc2)CCNC/C=C/c2ccccc2)occc1
• Canonical SMILES: COc1ccccc1C(c1ccco1)CCNC/C=C/c1ccccc1
• InChI: InChI=1S/C23H25NO2/c1-25-22-13-6-5-12-20(22)21(23-14-8-18-26-23)15-17-24-16-7-11-19-9-3-2-4-10-19/h2-14,18,21,24H,15-17H2,1H3/b11-7+
• InChIKey: FLPYFEIQMHIWLA-YRNVUSSQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(furan-2-yl)-3-(2-methoxyphenyl)propyl][(2E)-3-phenylprop-2-en-1-yl]amine
• IUPAC Traditional name: [3-(furan-2-yl)-3-(2-methoxyphenyl)propyl][(2E)-3-phenylprop-2-en-1-yl]amine

Database IDs

• PubChem SID: 164269061
• PubChem CID: 6236082

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6730919
• LogD (pH = 7.4): 2.7752573
• Log P: 4.844658
• Molar Refractivity: 107.1679 cm^3
• Polarizability: 41.275875 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds