[1-(3-fluorophenyl)propan-2-yl]({imidazo[1,2-a]pyridin-2-ylmethyl})amine

• ChemBase ID: 640765
• Molecular Formular: C17H18FN3
• Molecular Mass: 283.3433232
• Monoisotopic Mass: 283.14847581
• SMILES: n1c2n(cc1CNC(Cc1cc(F)ccc1)C)cccc2
• Canonical SMILES: CC(Cc1cccc(c1)F)NCc1nc2n(c1)cccc2
• InChI: InChI=1S/C17H18FN3/c1-13(9-14-5-4-6-15(18)10-14)19-11-16-12-21-8-3-2-7-17(21)20-16/h2-8,10,12-13,19H,9,11H2,1H3
• InChIKey: JJZBWPMPNSVXCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-fluorophenyl)propan-2-yl]({imidazo[1,2-a]pyridin-2-ylmethyl})amine
• IUPAC Traditional name: [1-(3-fluorophenyl)propan-2-yl]({imidazo[1,2-a]pyridin-2-ylmethyl})amine
• Synonyms: 1-(3-fluorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.004179926
• LogD (pH = 7.4): 1.5702739
• Log P: 2.9717815
• Molar Refractivity: 82.665 cm^3
• Polarizability: 31.34109 Å^3
• Polar Surface Area: 29.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.12
• LOG S: -2.93
• Polar Surface Area: 29.33 Å^2
• Rotatable Bonds: 5