Home Other Building Blocks 1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethan-1-amine

1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethan-1-amine

CAS No.:
953750-89-5
Catalog Number:
AG019MT7
Molecular Formula:
C11H14F3NO2
Molecular Weight:
249.2296
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Product Description
Catalog Number:
AG019MT7
Chemical Name:
1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethan-1-amine
CAS Number:
953750-89-5
Molecular Formula:
C11H14F3NO2
Molecular Weight:
249.2296
MDL Number:
MFCD09735712
IUPAC Name:
1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethanamine
InChI:
InChI=1S/C11H14F3NO2/c1-7(15)8-3-4-9(10(5-8)16-2)17-6-11(12,13)14/h3-5,7H,6,15H2,1-2H3
InChI Key:
GVWGBJKHORUQNN-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OCC(F)(F)F)C(N)C
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.098g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.233g/mol
Monoisotopic Mass:
249.098g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties