ChemSpider 2D Image | (1S,2S)-2-(3-Fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]ethyl}cyclopropanamine | C19H20FN5

(1S,2S)-2-(3-Fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]ethyl}cyclopropanamine

  • Molecular FormulaC19H20FN5
  • Average mass337.394 Da
  • Monoisotopic mass337.170288 Da
  • ChemSpider ID35033955

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-2-(3-Fluorbenzyl)-N-{2-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]ethyl}cyclopropanamin [German] [ACD/IUPAC Name]
(1S,2S)-2-(3-Fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]ethyl}cyclopropanamine [ACD/IUPAC Name]
(1S,2S)-2-(3-Fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]éthyl}cyclopropanamine [French] [ACD/IUPAC Name]
(1S,2S)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine
4-Pyrimidineethanamine, N-[(1S,2S)-2-[(3-fluorophenyl)methyl]cyclopropyl]-2-(1H-imidazol-1-yl)- [ACD/Index Name]
(1s,2s)-2-(3-Fluorobenzyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl} Cyclopropanamine
K9L

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 553.4±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.5±30.9 °C
Index of Refraction: 1.670
Molar Refractivity: 96.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.19
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 4.35
ACD/KOC (pH 7.4): 61.53
Polar Surface Area: 56 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 256.9±7.0 cm3

Click to predict properties on the Chemicalize site


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