ChemSpider 2D Image | (1S,5S)-N-(4-Methoxy-3-methylbenzyl)-2-adamantanamine | C19H27NO

(1S,5S)-N-(4-Methoxy-3-methylbenzyl)-2-adamantanamine

  • Molecular FormulaC19H27NO
  • Average mass285.424 Da
  • Monoisotopic mass285.209259 Da
  • ChemSpider ID57305263

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1S,5S)-N-(4-Methoxy-3-methylbenzyl)-2-adamantanamin [German] [ACD/IUPAC Name]
(1S,5S)-N-(4-Methoxy-3-methylbenzyl)-2-adamantanamine [ACD/IUPAC Name]
(1S,5S)-N-(4-Méthoxy-3-méthylbenzyl)-2-adamantanamine [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decan-2-amine, N-[(4-methoxy-3-methylphenyl)methyl]-, (1S,5S)- [ACD/Index Name]
N-[(4-methoxy-3-methylphenyl)methyl]adamantan-2-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: 406.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 174.1±14.0 °C
Index of Refraction: 1.569
Molar Refractivity: 86.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 6.45
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 4.91
ACD/KOC (pH 7.4): 19.81
Polar Surface Area: 21 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 262.7±5.0 cm3

Click to predict properties on the Chemicalize site


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