(furan-2-ylmethyl)({3-phenyl-3-[4-(propan-2-yloxy)phenyl]propyl})amine

• ChemBase ID: 190942
• Molecular Formular: C23H27NO2
• Molecular Mass: 349.46598
• Monoisotopic Mass: 349.20417911
• SMILES: c1(occc1)CNCCC(c1ccc(OC(C)C)cc1)c1ccccc1
• Canonical SMILES: CC(Oc1ccc(cc1)C(c1ccccc1)CCNCc1ccco1)C
• InChI: InChI=1S/C23H27NO2/c1-18(2)26-21-12-10-20(11-13-21)23(19-7-4-3-5-8-19)14-15-24-17-22-9-6-16-25-22/h3-13,16,18,23-24H,14-15,17H2,1-2H3
• InChIKey: VMSYGQHTCFNZBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)({3-phenyl-3-[4-(propan-2-yloxy)phenyl]propyl})amine
• IUPAC Traditional name: (furan-2-ylmethyl)[3-(4-isopropoxyphenyl)-3-phenylpropyl]amine

Database IDs

• PubChem SID: 164246852
• PubChem CID: 3839883

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1457658
• LogD (pH = 7.4): 3.7319183
• Log P: 5.086079
• Molar Refractivity: 105.9397 cm^3
• Polarizability: 41.431217 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds