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

• ChemBase ID: 498819
• Molecular Formular: C22H30N2O2
• Molecular Mass: 354.4858
• Monoisotopic Mass: 354.23072821
• SMILES: C1(N2CCCCC2)(Cc2c(C1)cccc2)CNCc1oc(cc1)COC
• Canonical SMILES: COCc1ccc(o1)CNCC1(Cc2c(C1)cccc2)N1CCCCC1
• InChI: InChI=1S/C22H30N2O2/c1-25-16-21-10-9-20(26-21)15-23-17-22(24-11-5-2-6-12-24)13-18-7-3-4-8-19(18)14-22/h3-4,7-10,23H,2,5-6,11-17H2,1H3
• InChIKey: CZYUCOYOSDFWSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[5-(methoxymethyl)furan-2-yl]methyl}({[2-(piperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]methyl})amine
• IUPAC Traditional name: {[5-(methoxymethyl)furan-2-yl]methyl}({[2-(piperidin-1-yl)-1,3-dihydroinden-2-yl]methyl})amine
• Synonyms: 1-[5-(methoxymethyl)-2-furyl]-N-{[2-(1-piperidinyl)-2,3-dihydro-1H-inden-2-yl]methyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.05213268
• LogD (pH = 7.4): 1.5787722
• Log P: 3.2931883
• Molar Refractivity: 105.5396 cm^3
• Polarizability: 41.018463 Å^3
• Polar Surface Area: 37.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.93
• LOG S: -3.56
• Polar Surface Area: 37.64 Å^2
• Rotatable Bonds: 6