[(2,3-difluoro-6-methoxyphenyl)methyl](methyl)[(1-methylpyrrolidin-3-yl)methyl]amine

• ChemBase ID: 502187
• Molecular Formular: C15H22F2N2O
• Molecular Mass: 284.3447864
• Monoisotopic Mass: 284.17001977
• SMILES: c1(c(c(ccc1OC)F)F)CN(CC1CN(CC1)C)C
• Canonical SMILES: COc1ccc(c(c1CN(CC1CCN(C1)C)C)F)F
• InChI: InChI=1S/C15H22F2N2O/c1-18-7-6-11(8-18)9-19(2)10-12-14(20-3)5-4-13(16)15(12)17/h4-5,11H,6-10H2,1-3H3
• InChIKey: HCFURTVCWKTQDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,3-difluoro-6-methoxyphenyl)methyl](methyl)[(1-methylpyrrolidin-3-yl)methyl]amine
• IUPAC Traditional name: [(2,3-difluoro-6-methoxyphenyl)methyl](methyl)[(1-methylpyrrolidin-3-yl)methyl]amine
• Synonyms: (2,3-difluoro-6-methoxybenzyl)methyl[(1-methylpyrrolidin-3-yl)methyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.8504547
• LogD (pH = 7.4): -0.07356171
• Log P: 2.12677
• Molar Refractivity: 77.066 cm^3
• Polarizability: 29.232237 Å^3
• Polar Surface Area: 15.71 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: 2.3
• LOG S: -2.23
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 5