Home Amines 1177277-74-5
1177277-74-5,MFCD16653346
Catalog No.:AA01AQDC
1177277-74-5 | ((2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROL-3-YL)METHYL)AMINE
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Technical Information
Catalog Number:
AA01AQDC
Chemical Name:
((2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROL-3-YL)METHYL)AMINE
CAS Number:
1177277-74-5
Molecular Formula:
C14H15F3N2
Molecular Weight:
268.2775
MDL Number:
MFCD16653346
IUPAC Name:
[2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methanamine
InChI:
InChI=1S/C14H15F3N2/c1-9-7-11(8-18)10(2)19(9)13-5-3-12(4-6-13)14(15,16)17/h3-7H,8,18H2,1-2H3
InChI Key:
VXLWAZGLAQNQSQ-UHFFFAOYSA-N
SMILES:
NCc1cc(n(c1C)c1ccc(cc1)C(F)(F)F)C
Properties
Computed Properties
 
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.119g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.283g/mol
Monoisotopic Mass:
268.119g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
({2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methyl)amine 
1177277-74-5 
ZINC34936139 
AKOS015957334 
F2167-0122 
{2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl}methanamine 
{2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methanamine 
N/A 
Literature
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