The N-(4-Methoxyphenyl)-4-methylbenzenamine with cas registry number of 39253-43-5, its systematic name is 4-methoxy-N-(4-methylphenyl)aniline. And it is also named benzenamine, 4-methoxy-N-(4-methylphenyl)-; 4-Methoxy-N-(4-methylphenyl)aniline.
Physical properties about this chemical are: (1)ACD/LogP: 4.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 218; (6)ACD/BCF (pH 7.4): 218; (7)ACD/KOC (pH 5.5): 1640; (8)ACD/KOC (pH 7.4): 1641; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.26 Ã2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 67.131 cm3; (15)Molar Volume: 195.752 cm3; (16)Polarizability: 26.613×10-24cm3; (17)Surface Tension: 40.866 dyne/cm; (18)Enthalpy of Vaporization: 60.004 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O(c2ccc(Nc1ccc(cc1)C)cc2)C;
(2)InChI:InChI=1/C14H15NO/c1-11-3-5-12(6-4-11)15-13-7-9-14(16-2)10-8-13/h3-10,15H,1-2H3;
(3)InChIKey:KIDXWDVZFZMXGM-UHFFFAOYAF;
(4)Std. InChI:InChI=1S/C14H15NO/c1-11-3-5-12(6-4-11)15-13-7-9-14(16-2)10-8-13/h3-10,15H,1-2H3;
(5)Std. InChIKey:KIDXWDVZFZMXGM-UHFFFAOYSA-N.
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