N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]prop-2-yn-1-amine

Systemtic Name: N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]prop-2-yn-1-amine Openeye Name: N-[(3-bromo-4,5-dimethoxy-phenyl)methyl]prop-2-yn-1-amine CAS Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-propyn-1-amine IUPAC Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]prop-2-yn-1-amine Traditional Name: (3-bromo-4,5-dimethoxy-benzyl)-propargyl-amine Formula: C12H14BrNO2 MolecularWeight: 284.14906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCC#C)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCC#C)Br)OC

InChI

InChI=1S/C12H14BrNO2/c1-4-5-14-8-9-6-10(13)12(16-3)11(7-9)15-2/h1,6-7,14H,5,8H2,2-3H3