(3-bromanyl-4-butan-2-yloxy-5-methoxy-phenyl)methanamine

Systemtic Name: (3-bromanyl-4-butan-2-yloxy-5-methoxy-phenyl)methanamine Openeye Name: (3-bromo-5-methoxy-4-sec-butoxy-phenyl)methanamine CAS Name: (3-bromo-4-butan-2-yloxy-5-methoxyphenyl)methanamine IUPAC Name: (3-bromo-4-butan-2-yloxy-5-methoxyphenyl)methanamine Traditional Name: (3-bromo-5-methoxy-4-sec-butoxy-benzyl)amine Formula: C12H18BrNO2 MolecularWeight: 288.18082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1Br)CN)OC

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1Br)CN)OC

InChI

InChI=1S/C12H18BrNO2/c1-4-8(2)16-12-10(13)5-9(7-14)6-11(12)15-3/h5-6,8H,4,7,14H2,1-3H3