3-Pyridinecarboxylicacid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-, ethyl ester (113994-36-8)

The 2-[(2-Aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-3-pyridinecarboxylic acid ethyl ester with the cas number 113994-36-8, is also called Ethyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methylnicotinate. The systematic name is 3-pyridinecarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-, ethyl ester. Its molecular formula is C₁₈H₂₁ClN₂O₃.

The properties of the chemical are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 7.2; (7)ACD/KOC (pH 5.5): 1.63; (8)ACD/KOC (pH 7.4): 69.93; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 74.44Ų; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 94.52 cm³; (15)Molar Volume: 289.9 cm³; (16)Polarizability: 37.47×10^-24cm³; (17)Surface Tension: 46.7 dyne/cm; (18)Enthalpy of Vaporization: 72.27 kJ/mol; (19)Vapour Pressure: 1.04×10^-8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1c(cc(nc1COCCN)C)c2ccccc2Cl
(2)InChI: InChI=1/C18H21ClN2O3/c1-3-24-18(22)17-14(13-6-4-5-7-15(13)19)10-12(2)21-16(17)11-23-9-8-20/h4-7,10H,3,8-9,11,20H2,1-2H3