ChemSpider 2D Image | (2S,6S)-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine | C20H33NO

(2S,6S)-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine

  • Molecular FormulaC20H33NO
  • Average mass303.482 Da
  • Monoisotopic mass303.256226 Da
  • ChemSpider ID21251330
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

(2S,6S)-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine
(2S,6S)-2,6-Dimethyl-4-{2-methyl-3-[4-(2-methyl-2-propanyl)phenyl]propyl}morpholin [German] [ACD/IUPAC Name]
(2S,6S)-2,6-Dimethyl-4-{2-methyl-3-[4-(2-methyl-2-propanyl)phenyl]propyl}morpholine [ACD/IUPAC Name]
(2S,6S)-2,6-Diméthyl-4-{2-méthyl-3-[4-(2-méthyl-2-propanyl)phényl]propyl}morpholine [French] [ACD/IUPAC Name]
Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, (2S,6S)- [ACD/Index Name]
(2S,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine
(2S,6S)-fenpropimorph
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:50153
  • Miscellaneous
    • Chemical Class:

      A <stereo>trans</stereo>-[3-(4-<ital>tert</ital>-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine in which both of the stereocentres in the morpholine ring have <stereo>S</stereo> configuration. ChEBI CHEBI:50153
      A trans-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine in which both of the stereocentres in the morpholine ring have S configuration. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:50153

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

Density: 0.9±0.1 g/cm3
Boiling Point: 392.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 115.6±26.9 °C
Index of Refraction: 1.490
Molar Refractivity: 94.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 59.74
ACD/KOC (pH 5.5): 197.66
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2117.78
ACD/KOC (pH 7.4): 7006.28
Polar Surface Area: 12 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 30.8±3.0 dyne/cm
Molar Volume: 326.9±3.0 cm3

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