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

• ChemBase ID: 199154
• Molecular Formular: C19H21NO2
• Molecular Mass: 295.37554
• Monoisotopic Mass: 295.15722892
• SMILES: c1(occc1)C(c1ccc(cc1)C)CCNCc1occc1
• Canonical SMILES: Cc1ccc(cc1)C(c1ccco1)CCNCc1ccco1
• InChI: InChI=1S/C19H21NO2/c1-15-6-8-16(9-7-15)18(19-5-3-13-22-19)10-11-20-14-17-4-2-12-21-17/h2-9,12-13,18,20H,10-11,14H2,1H3
• InChIKey: WNZJRFSFPBOKMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164255064
• PubChem CID: 2927489

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0912707
• LogD (pH = 7.4): 2.7267919
• Log P: 3.9660816
• Molar Refractivity: 87.8182 cm^3
• Polarizability: 33.827217 Å^3
• Polar Surface Area: 38.31 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds