ChemSpider 2D Image | N-Benzyl-4-(2-pyrrolidinylmethoxy)aniline | C18H22N2O

N-Benzyl-4-(2-pyrrolidinylmethoxy)aniline

  • Molecular FormulaC18H22N2O
  • Average mass282.380 Da
  • Monoisotopic mass282.173218 Da
  • ChemSpider ID24633695

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzenemethanamine, N-[4-(2-pyrrolidinylmethoxy)phenyl]- [ACD/Index Name]
N-Benzyl-4-(2-pyrrolidinylmethoxy)anilin [German] [ACD/IUPAC Name]
N-Benzyl-4-(2-pyrrolidinylmethoxy)aniline [ACD/IUPAC Name]
N-Benzyl-4-(2-pyrrolidinylméthoxy)aniline [French] [ACD/IUPAC Name]
N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline

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

812 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 446.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 186.0±12.6 °C
Index of Refraction: 1.598
Molar Refractivity: 86.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.15
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.52
Polar Surface Area: 33 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 254.4±3.0 cm3

Click to predict properties on the Chemicalize site


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