Chemical Properties of 3'-methoxy,4'-hydroxyphenyl- ethyl)-1,2,3,4-tetrahydromethylquinoline

3'-methoxy,4'-hydroxyphenyl- ethyl)-1,2,3,4-tetrahydromethylquinoline

InChI
InChI=1S/C18H21NO2/c1-21-18-12-13(7-11-17(18)20)6-9-15-10-8-14-4-2-3-5-16(14)19-15/h2-5,7,11-12,15,19-20H,6,8-10H2,1H3
InChI Key
SVRGVWFUWFSROF-UHFFFAOYSA-N
Formula
C18H21NO2
SMILES
COc1cc(CCC2CCc3ccccc3N2)ccc1O
Molecular Weight1
283.36
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Physical Properties

Property Value Unit Source
ΔfusH° 42.28 kJ/mol Joback Calculated Property
logPoct/wat 3.760 Crippen Calculated Property
McVol 227.820 ml/mol McGowan Calculated Property
Inp [2676.00; 2676.00]   Show Hide
Inp 2676.00 NIST
Inp 2676.00 NIST
Tfus 391.60 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [298.98; 758.49] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-7.45480e+01
Coefficient B1.65632e+00
Coefficient C-1.14228e-03
Coefficient D3.19000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 298.98 J/mol×K 273.00 Calculated Property
Cp,gas 382.58 J/mol×K 353.78 Calculated Property
Cp,gas 455.69 J/mol×K 434.56 Calculated Property
Cp,gas 519.31 J/mol×K 515.33 Calculated Property
Cp,gas 574.47 J/mol×K 596.11 Calculated Property
Cp,gas 622.16 J/mol×K 676.89 Calculated Property
Cp,gas 663.40 J/mol×K 757.67 Calculated Property
Cp,gas 699.20 J/mol×K 838.44 Calculated Property
Cp,gas 730.56 J/mol×K 919.22 Calculated Property
Cp,gas 758.49 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-(3',4'-Dimethoxyphenylethyl)-1,2,3,4-tetrahydroquinoline. 2-(3',4'-Methylenedioxyphenylethyl)-1,2,3,4- tetrahydroquinoline. Cuspareine. Galipinine. 2-n-Pentyl-1,2,3,4-tetrahydroquinoline. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5«alpha»)-. Oxycodone tms derivative. Oxycodone. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. risperidone. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. Nalbuphine, O,O,O-tris(trimethylsilyl) deriv.. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Oxymorphone, bis(trimethylsilyl) ether. inosine-5'-monophosphate, TMS.

Find more compounds similar to 3'-methoxy,4'-hydroxyphenyl- ethyl)-1,2,3,4-tetrahydromethylquinoline.

Sources

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