Benzonitrile,2-chloro-6-[(2R)-3-[[1,1-dimethyl-2-(2-naphthalenyl)ethyl]amino]-2-hydroxypropoxy]- (284035-33-2)

The CAS register number of 2-Chloro-6-[(2R)-3-[[1,1-dimethyl-2-(2-naphthalenyl)ethyl]amino]-2-hydroxypropoxy]benzonitrile is 284035-33-2. It also can be called as (R)-2-chloro-6-(2-hydroxy-3-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)propoxy)benzonitrile and the systematic name about this chemical is 2-chloro-6-({(2R)-3-[(1,1-dimethyl-2-naphthalen-2-ylethyl)amino]-2-hydroxypropyl}oxy)benzonitrile. The molecular formula about this chemical is C₂₄H₂₅ClN₂O₂ and the molecular weight is 408.92. It belongs to the API intermediates.

Physical properties about 2-Chloro-6-[(2R)-3-[[1,1-dimethyl-2-(2-naphthalenyl)ethyl]amino]-2-hydroxypropoxy]benzonitrile are: (1)ACD/LogP: 5.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 3.9; (5)ACD/BCF (pH 5.5): 7.59; (6)ACD/BCF (pH 7.4): 267.7; (7)ACD/KOC (pH 5.5): 23.28; (8)ACD/KOC (pH 7.4): 820.53; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 45.49Ų; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 117.74 cm³; (15)Molar Volume: 330.2 cm³; (16)Polarizability: 46.67x10^-24cm³; (17)Surface Tension: 56.9 dyne/cm; (18)Enthalpy of Vaporization: 95.05 kJ/mol; (19)Boiling Point: 608.4 °C at 760 mmHg; (20)Vapour Pressure: 1.17E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc3c(OC[C@H](O)CNC(C)(C)Cc2cc1ccccc1cc2)cccc3Cl
(2)InChI: InChI=1/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1
(3)InChIKey: PZUJQWHTIRWCID-HXUWFJFHBX
(4)Std. InChI: InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1
(5)Std. InChIKey: PZUJQWHTIRWCID-HXUWFJFHSA-N