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126924-38-7 | Benzenepropanamine, γ-[4-(trifluoromethyl)phenoxy]-, (γS)-
CAS No: 126924-38-7 Catalog No: AG000THR MDL No:MFCD00872148
Product Description
Catalog Number:
AG000THR
Chemical Name:
Benzenepropanamine, γ-[4-(trifluoromethyl)phenoxy]-, (γS)-
CAS Number:
126924-38-7
Molecular Formula:
C16H16F3NO
Molecular Weight:
295.2995
MDL Number:
MFCD00872148
IUPAC Name:
(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
InChI:
InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1
InChI Key:
WIQRCHMSJFFONW-HNNXBMFYSA-N
SMILES:
NCC[C@@H](c1ccccc1)Oc1ccc(cc1)C(F)(F)F
UNII:
25CO3X0R31
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
295.118g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.305g/mol
Monoisotopic Mass:
295.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Stereoselective inhibition of serotonin re-uptake and phosphodiesterase by dual inhibitors as potential agents for depression. | Bioorganic & medicinal chemistry 20090101 |
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