ChemSpider 2D Image | 6-{[3-({[2-(3-Fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methyl-2-pyridinamine | C22H24FN3O

6-{[3-({[2-(3-Fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methyl-2-pyridinamine

  • Molecular FormulaC22H24FN3O
  • Average mass365.444 Da
  • Monoisotopic mass365.190338 Da
  • ChemSpider ID30822841

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Pyridinamine, 6-[[3-[[[2-(3-fluorophenyl)ethyl]amino]methyl]phenoxy]methyl]-4-methyl- [ACD/Index Name]
6-{[3-({[2-(3-Fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methyl-2-pyridinamine [ACD/IUPAC Name]
6-{[3-({[2-(3-Fluorophényl)éthyl]amino}méthyl)phénoxy]méthyl}-4-méthyl-2-pyridinamine [French] [ACD/IUPAC Name]
6-{[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methylpyridin-2-amine
6-{[3-({[2-(3-Fluorphenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methyl-2-pyridinamin [German] [ACD/IUPAC Name]
10.1016/j.bmc.2013.06.014
1450659-53-6 [RN]
6-{[3-({[2-(3-Fluorophenyl)ethyl]amino} Methyl)phenoxy]methyl}-4-Methylpyridin-2-Amine
Q05

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 536.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.0±28.7 °C
Index of Refraction: 1.608
Molar Refractivity: 106.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 13.22
ACD/KOC (pH 7.4): 81.43
Polar Surface Area: 60 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 309.0±3.0 cm3

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