(furan-3-ylmethyl)({[2-(piperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]methyl})amine

• ChemBase ID: 793303
• Molecular Formular: C20H26N2O
• Molecular Mass: 310.43324
• Monoisotopic Mass: 310.20451346
• SMILES: C1(N2CCCCC2)(Cc2c(C1)cccc2)CNCc1cocc1
• Canonical SMILES: C1CCN(CC1)C1(CNCc2ccoc2)Cc2c(C1)cccc2
• InChI: InChI=1S/C20H26N2O/c1-4-9-22(10-5-1)20(16-21-14-17-8-11-23-15-17)12-18-6-2-3-7-19(18)13-20/h2-3,6-8,11,15,21H,1,4-5,9-10,12-14,16H2
• InChIKey: RRGIYOUEBRZLQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-3-ylmethyl)({[2-(piperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]methyl})amine
• IUPAC Traditional name: (furan-3-ylmethyl)({[2-(piperidin-1-yl)-1,3-dihydroinden-2-yl]methyl})amine
• Synonyms: (3-furylmethyl){[2-(1-piperidinyl)-2,3-dihydro-1H-inden-2-yl]methyl}amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.023894882
• LogD (pH = 7.4): 1.5504568
• Log P: 3.5774095
• Molar Refractivity: 94.2175 cm^3
• Polarizability: 36.662357 Å^3
• Polar Surface Area: 28.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.02
• LOG S: -2.91
• Polar Surface Area: 28.41 Å^2
• Rotatable Bonds: 5