Home Aminos 1-[(1-aminobutan-2-yl)oxy]-3-(trifluoromethyl)benzene

1-[(1-aminobutan-2-yl)oxy]-3-(trifluoromethyl)benzene

CAS No.:
1247503-10-1
Catalog Number:
AG019YHW
Molecular Formula:
C11H14F3NO
Molecular Weight:
233.2302
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Product Description
Catalog Number:
AG019YHW
Chemical Name:
1-[(1-aminobutan-2-yl)oxy]-3-(trifluoromethyl)benzene
CAS Number:
1247503-10-1
Molecular Formula:
C11H14F3NO
Molecular Weight:
233.2302
MDL Number:
MFCD16081676
IUPAC Name:
2-[3-(trifluoromethyl)phenoxy]butan-1-amine
InChI:
InChI=1S/C11H14F3NO/c1-2-9(7-15)16-10-5-3-4-8(6-10)11(12,13)14/h3-6,9H,2,7,15H2,1H3
InChI Key:
OQCKVOZOXALOGP-UHFFFAOYSA-N
SMILES:
CCC(Oc1cccc(c1)C(F)(F)F)CN
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.103g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.234g/mol
Monoisotopic Mass:
233.103g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties