ChemSpider 2D Image | 6-{[(3S,4S)-4-{2-[(2-Methoxybenzyl)amino]ethoxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine | C21H30N4O2

6-{[(3S,4S)-4-{2-[(2-Methoxybenzyl)amino]ethoxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine

  • Molecular FormulaC21H30N4O2
  • Average mass370.488 Da
  • Monoisotopic mass370.236877 Da
  • ChemSpider ID28493807

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyridinamine, 6-[[(3S,4S)-4-[2-[[(2-methoxyphenyl)methyl]amino]ethoxy]-3-pyrrolidinyl]methyl]-4-methyl- [ACD/Index Name]
6-{[(3S,4S)-4-{2-[(2-Methoxybenzyl)amino]ethoxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamin [German] [ACD/IUPAC Name]
6-{[(3S,4S)-4-{2-[(2-Methoxybenzyl)amino]ethoxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine [ACD/IUPAC Name]
6-{[(3S,4S)-4-{2-[(2-Méthoxybenzyl)amino]éthoxy}-3-pyrrolidinyl]méthyl}-4-méthyl-2-pyridinamine [French] [ACD/IUPAC Name]
6-{[(3s,4s)-4-{2-[(2-Methoxybenzyl)amino]ethoxy}pyrrolidin-3-Yl]methyl}-4-Methylpyridin-2-Amine
08R

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

Density: 1.2±0.1 g/cm3
Boiling Point: 539.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 279.9±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 107.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): -3.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 318.4±5.0 cm3

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