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147241-85-8 | Ethanamine, 2-[[3,4-dihydro-2-methyl-4-[3-(trifluoromethyl)phenyl]-2H-1-benzopyran-7-yl]oxy]-N,N-dimethyl-
CAS No: 147241-85-8 Catalog No: AG001EQZ MDL No:
Product Description
Catalog Number:
AG001EQZ
Chemical Name:
Ethanamine, 2-[[3,4-dihydro-2-methyl-4-[3-(trifluoromethyl)phenyl]-2H-1-benzopyran-7-yl]oxy]-N,N-dimethyl-
CAS Number:
147241-85-8
Molecular Formula:
C21H24F3NO2
Molecular Weight:
379.4160
IUPAC Name:
N,N-dimethyl-2-[[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]oxy]ethanamine
InChI:
InChI=1S/C21H24F3NO2/c1-14-11-19(15-5-4-6-16(12-15)21(22,23)24)18-8-7-17(13-20(18)27-14)26-10-9-25(2)3/h4-8,12-14,19H,9-11H2,1-3H3
InChI Key:
GKQQWVNUPNIGPZ-UHFFFAOYSA-N
SMILES:
CN(CCOc1ccc2c(c1)OC(CC2c1cccc(c1)C(F)(F)F)C)C
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.176g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.423g/mol
Monoisotopic Mass:
379.176g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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