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85278-66-6 | 2-(3,4-DIMETHOXYPHENYL)-3-FLUOROALLYLAMINE
CAS No: 85278-66-6 Catalog No: AG004LU7 MDL No:
Product Description
Catalog Number:
AG004LU7
Chemical Name:
2-(3,4-DIMETHOXYPHENYL)-3-FLUOROALLYLAMINE
CAS Number:
85278-66-6
Molecular Formula:
C11H14FNO2
Molecular Weight:
211.2328
IUPAC Name:
(E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine
InChI:
InChI=1S/C11H14FNO2/c1-14-10-4-3-8(5-11(10)15-2)9(6-12)7-13/h3-6H,7,13H2,1-2H3/b9-6-
InChI Key:
HLNSVKSSCLHOSW-TWGQIWQCSA-N
SMILES:
NCC(=CF)c1ccc(c(c1)OC)OC
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
211.101g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.236g/mol
Monoisotopic Mass:
211.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Fluorinated phenylcyclopropylamines. Part 5: Effects of electron-withdrawing or -donating aryl substituents on the inhibition of monoamine oxidases A and B by 2-aryl-2-fluoro-cyclopropylamines. | Bioorganic & medicinal chemistry 20080801 |
| Semicarbazide-sensitive amine oxidase and extracellular matrix deposition by smooth-muscle cells. | Cardiovascular toxicology 20020101 |
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