[3-bromanyl-5-ethoxy-4-(2-methylpropoxy)phenyl]methanamine

Systemtic Name: [3-bromanyl-5-ethoxy-4-(2-methylpropoxy)phenyl]methanamine Openeye Name: (3-bromo-5-ethoxy-4-isobutoxy-phenyl)methanamine CAS Name: [3-bromo-5-ethoxy-4-(2-methylpropoxy)phenyl]methanamine IUPAC Name: [3-bromo-5-ethoxy-4-(2-methylpropoxy)phenyl]methanamine Traditional Name: (3-bromo-5-ethoxy-4-isobutoxy-benzyl)amine Formula: C13H20BrNO2 MolecularWeight: 302.2074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CN)Br)OCC(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CN)Br)OCC(C)C

InChI

InChI=1S/C13H20BrNO2/c1-4-16-12-6-10(7-15)5-11(14)13(12)17-8-9(2)3/h5-6,9H,4,7-8,15H2,1-3H3