Methopholine CAS NO.2154-02-1

IUPAC: 1-[2-(4-Chlorophenyl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline   
 Methopholine (2154-02-1) is also called for 1-(p-Chlorophenethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinoline ; 1-(p-Chlorophenethyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline ; 1-(p-Chlorophenethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline ; ARC I-K-1 ; Isoquinoline, 1-(2-(4-chlorophenyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl- ; Mesofolin ; Metofolina ; Metofoline ; Metofolinum ; Metopholine ; NIH 7672 ; NSC 169889 ; Ro 4-1778/1 ; UNII-72L4ZT2W1P ; Versidyne and so on.
Molecular Formula: C₂₀H₂₄ClNO₂
Molecular Weight: 345.86
LogP: ACD/LogP: 4.94 
XLogP: 4.10 
ALOGPS: 4.26  
ACD/LogD (pH 5.5): 2.52  
ACD/LogD (pH 7.4): 4.23  
ACD/BCF (pH 5.5): 12.76  
ACD/BCF (pH 7.4): 651.23  
ACD/KOC (pH 5.5): 44.19  
ACD/KOC (pH 7.4): 2255.43  
H bond acceptors: 3  
H bond donors: 0  
Freely Rotating Bonds: 5
Heavy Atom Count: 24 
Formal Charge: 0 
Complexity: 386 
Isotope Atom Count: 0 
Defined Atom StereoCenter Count: 0 
Undefined Atom StereoCenter Count: 1 
Defined Bond StereoCenter Count: 0 
Undefined Bond StereoCenter Count: 0 
Covalently-Bonded Unit Count: 1  
Index of Refraction: 1.559  
Molar Refractivity: 98.76 cm³  
Molar Volume: 305.5 cm³   
Surface Tension: 39.3 dyne/cm  
Density: 1.131 g/cm³  
Flash Point: 225.5°C  
Enthalpy of Vaporization: 70.8 kJ/mol  
Boiling Point: 449.3°C at 760 mmHg  
The molecular structure of  Methopholine (2154-02-1) :