N-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)methyl]-2,2,2-tris(fluoranyl)ethanamine

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)methyl]-2,2,2-tris(fluoranyl)ethanamine Openeye Name: N-[(3-bromo-5-methoxy-4-propoxy-phenyl)methyl]-2,2,2-trifluoro-ethanamine CAS Name: N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-2,2,2-trifluoroethanamine IUPAC Name: N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-2,2,2-trifluoroethanamine Traditional Name: (3-bromo-5-methoxy-4-propoxy-benzyl)-(2,2,2-trifluoroethyl)amine Formula: C13H17BrF3NO2 MolecularWeight: 356.17879

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)CNCC(F)(F)F)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)CNCC(F)(F)F)OC

InChI

InChI=1S/C13H17BrF3NO2/c1-3-4-20-12-10(14)5-9(6-11(12)19-2)7-18-8-13(15,16)17/h5-6,18H,3-4,7-8H2,1-2H3