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Search term: TVYLLZQTGLZFBW-KTXUZGJCEP
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Inherent Properties, Identifiers and References
ChemSpider ID: 397297
Empirical Formula: C1511CH25NO2
Molecular Weight: 262.3759
Nominal Mass: 262 Da
Average Mass: 262.3759 Da
Monoisotopic Mass: 262.199962 Da
Systematic Name: 2-(dimethylaminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol
SMILES: CN(C)CC1CCCCC1(c2cccc(c2)OC)O
InChI: InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-​13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/i3-1
InChIKey: TVYLLZQTGLZFBW-KTXUZGJCEP
Std. InChI: InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11​-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/i3-1
Std. InChIKey: TVYLLZQTGLZFBW-KTXUZGJCSA-N
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

ACD/LogP: # of Rule of 5 Violations:
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5): ACD/KOC (pH 7.4):
#H bond acceptors: #H bond donors:
#Freely Rotating Bonds: Polar Surface Area: 2
Index of Refraction: 1.532 Molar Refractivity: 77.96 cm3
Molar Volume: 251.3 cm3 Polarizability: 30.9 10-24cm3
Surface Tension: 39.6 dyne/cm Density: 1.047 g/cm3
Flash Point: °C Enthalpy of Vaporization: kJ/mol
Boiling Point: °C at 760 mmHg Vapour Pressure: mmHg at 25°C