(furan-2-ylmethyl)[3-(4-methoxyphenyl)-4-methylpentyl]amine

• ChemBase ID: 194640
• Molecular Formular: C18H25NO2
• Molecular Mass: 287.3966
• Monoisotopic Mass: 287.18852905
• SMILES: c1(occc1)CNCCC(c1ccc(cc1)OC)C(C)C
• Canonical SMILES: COc1ccc(cc1)C(C(C)C)CCNCc1ccco1
• InChI: InChI=1S/C18H25NO2/c1-14(2)18(15-6-8-16(20-3)9-7-15)10-11-19-13-17-5-4-12-21-17/h4-9,12,14,18-19H,10-11,13H2,1-3H3
• InChIKey: CEZREASKJKBBTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)[3-(4-methoxyphenyl)-4-methylpentyl]amine
• IUPAC Traditional name: (furan-2-ylmethyl)[3-(4-methoxyphenyl)-4-methylpentyl]amine

Database IDs

• PubChem SID: 164250550
• PubChem CID: 3715713

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.97556984
• LogD (pH = 7.4): 2.5664434
• Log P: 3.9104798
• Molar Refractivity: 85.8269 cm^3
• Polarizability: 33.65341 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds