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


Chemical Name: 1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CAS Number: 953750-89-5
Product Number: AG019MT7(AGN-PC-01654G)
Synonyms:
MDL No: MFCD09735712
Molecular Formula: C11H14F3NO2
Molecular Weight: 249.2296

Identification/Properties


Computed Properties
Molecular Weight:
249.233g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
249.098g/mol
Monoisotopic Mass:
249.098g/mol
Topological Polar Surface Area:
44.5A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
235
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
Compound Is Canonicalized:
Yes

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NMR Spectrum


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