N-[[4-(2-bromanyl-4-methyl-phenoxy)-3-fluoranyl-phenyl]methyl]propan-1-amine

Systemtic Name: N-[[4-(2-bromanyl-4-methyl-phenoxy)-3-fluoranyl-phenyl]methyl]propan-1-amine Openeye Name: N-[[4-(2-bromo-4-methyl-phenoxy)-3-fluoro-phenyl]methyl]propan-1-amine CAS Name: N-[[4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methyl]-1-propanamine IUPAC Name: N-[[4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methyl]propan-1-amine Traditional Name: [4-(2-bromo-4-methyl-phenoxy)-3-fluoro-benzyl]-propyl-amine Formula: C17H19BrFNO MolecularWeight: 352.241263

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C)Br)F

Isomeric SMILES

CCCNCC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C)Br)F

InChI

InChI=1S/C17H19BrFNO/c1-3-8-20-11-13-5-7-17(15(19)10-13)21-16-6-4-12(2)9-14(16)18/h4-7,9-10,20H,3,8,11H2,1-2H3