[2-(diethylamino)-2-(furan-2-yl)ethyl][(3,5-difluorophenyl)methyl]amine

• ChemBase ID: 571851
• Molecular Formular: C17H22F2N2O
• Molecular Mass: 308.3661864
• Monoisotopic Mass: 308.17001977
• SMILES: c1(C(N(CC)CC)CNCc2cc(cc(c2)F)F)occc1
• Canonical SMILES: CCN(C(c1ccco1)CNCc1cc(F)cc(c1)F)CC
• InChI: InChI=1S/C17H22F2N2O/c1-3-21(4-2)16(17-6-5-7-22-17)12-20-11-13-8-14(18)10-15(19)9-13/h5-10,16,20H,3-4,11-12H2,1-2H3
• InChIKey: YMKSNRWUBIMEHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(diethylamino)-2-(furan-2-yl)ethyl][(3,5-difluorophenyl)methyl]amine
• IUPAC Traditional name: [2-(diethylamino)-2-(furan-2-yl)ethyl][(3,5-difluorophenyl)methyl]amine
• Synonyms: N~2~-(3,5-difluorobenzyl)-N~1~,N~1~-diethyl-1-(2-furyl)-1,2-ethanediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.20258673
• LogD (pH = 7.4): 2.024549
• Log P: 3.393746
• Molar Refractivity: 83.9288 cm^3
• Polarizability: 32.04646 Å^3
• Polar Surface Area: 28.41 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.05
• LOG S: -3.9
• Polar Surface Area: 28.41 Å^2
• Rotatable Bonds: 8