Home Amines 1018989-95-1
1018989-95-1,MFCD18385032
Catalog No.:AA0005S1
1018989-95-1 | Cyclohexanol, 1-(3-methoxyphenyl)-2-[[methyl(phenylmethyl)amino]methyl]-, hydrochloride (1:1), (1R,2R)-rel-
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Technical Information
Catalog Number:
AA0005S1
Chemical Name:
Cyclohexanol, 1-(3-methoxyphenyl)-2-[[methyl(phenylmethyl)amino]methyl]-, hydrochloride (1:1), (1R,2R)-rel-
CAS Number:
1018989-95-1
Molecular Formula:
C22H30ClNO2
Molecular Weight:
375.9321
MDL Number:
MFCD18385032
IUPAC Name:
2-[[benzyl(methyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
InChI:
InChI=1S/C22H29NO2.ClH/c1-23(16-18-9-4-3-5-10-18)17-20-11-6-7-14-22(20,24)19-12-8-13-21(15-19)25-2;/h3-5,8-10,12-13,15,20,24H,6-7,11,14,16-17H2,1-2H3;1H
InChI Key:
JTFWBVUPLSMPMJ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C1(O)CCCCC1CN(Cc1ccccc1)C.Cl
Properties
Computed Properties
 
Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.196507g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
375.9g/mol
Monoisotopic Mass:
375.196507g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
32.7Ų
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0

Synonyms
 
1018989-95-1 
cis-(+/-)-2-[(N-Benzyl-N-methyl)aminomethyl]-1-(3-methoxyphenyl)cyclohexanol, Hydrochloride 
CTK8E8974 
AKOS030255936 
RT-017585 
FT-0662837 
J-000511 
Cyclohexanol, 1-(3-methoxyphenyl)-2-[[methyl(phenylmethyl)amino]methyl]-, hydrochloride (1:1), (1R,2R)-rel- 
JTFWBVUPLSMPMJ-UHFFFAOYSA-N 
Literature
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