({4-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]phenyl}methyl)dimethylamine

• ChemBase ID: 822546
• Molecular Formular: C18H24N2O
• Molecular Mass: 284.39596
• Monoisotopic Mass: 284.1888634
• SMILES: N1(C(c2ccc(CN(C)C)cc2)CCC1)Cc1cocc1
• Canonical SMILES: CN(Cc1ccc(cc1)C1CCCN1Cc1cocc1)C
• InChI: InChI=1S/C18H24N2O/c1-19(2)12-15-5-7-17(8-6-15)18-4-3-10-20(18)13-16-9-11-21-14-16/h5-9,11,14,18H,3-4,10,12-13H2,1-2H3
• InChIKey: WFZHJHGULPCYFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({4-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]phenyl}methyl)dimethylamine
• IUPAC Traditional name: ({4-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]phenyl}methyl)dimethylamine
• Synonyms: 1-{4-[1-(3-furylmethyl)pyrrolidin-2-yl]phenyl}-N,N-dimethylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.8955815
• LogD (pH = 7.4): 0.45485753
• Log P: 3.1863225
• Molar Refractivity: 87.4806 cm^3
• Polarizability: 33.861794 Å^3
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.38
• LOG S: -3.15
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 5