ChemSpider 2D Image | N-Methyl-1-{1-[2-(2-methylphenyl)ethyl]-3-piperidinyl}-N-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl}methanamine | C25H33N5

N-Methyl-1-{1-[2-(2-methylphenyl)ethyl]-3-piperidinyl}-N-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl}methanamine

  • Molecular FormulaC25H33N5
  • Average mass403.563 Da
  • Monoisotopic mass403.273590 Da
  • ChemSpider ID23047384

More details:

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

3-Piperidinemethanamine, N-methyl-1-[2-(2-methylphenyl)ethyl]-N-[[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl]- [ACD/Index Name]
N-Methyl-1-{1-[2-(2-methylphenyl)ethyl]-3-piperidinyl}-N-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl}methanamin [German] [ACD/IUPAC Name]
N-Methyl-1-{1-[2-(2-methylphenyl)ethyl]-3-piperidinyl}-N-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl}methanamine [ACD/IUPAC Name]
N-Méthyl-1-{1-[2-(2-méthylphényl)éthyl]-3-pipéridinyl}-N-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]méthyl}méthanamine [French] [ACD/IUPAC Name]
METHYL({1-[2-(2-METHYLPHENYL)ETHYL]PIPERIDIN-3-YL}METHYL){[1-(PYRIMIDIN-2-YL)-1H-PYRROL-2-YL]METHYL}AMINE
METHYL({1-[2-(2-METHYLPHENYL)ETHYL]PIPERIDIN-3-YL}METHYL){[1-(PYRIMIDIN-2-YL)PYRROL-2-YL]METHYL}AMINE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 564.4±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 295.1±32.3 °C
Index of Refraction: 1.611
Molar Refractivity: 125.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.88
Polar Surface Area: 37 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 360.8±7.0 cm3

Click to predict properties on the Chemicalize site


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