N-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]pentan-3-amine

Systemtic Name: N-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]pentan-3-amine Openeye Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]pentan-3-amine CAS Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-pentanamine IUPAC Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]pentan-3-amine Traditional Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-(1-ethylpropyl)amine Formula: C13H18BrNO2 MolecularWeight: 300.19152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCC1=CC2=C(C=C1Br)OCO2

Isomeric SMILES

CCC(CC)NCC1=CC2=C(C=C1Br)OCO2

InChI

InChI=1S/C13H18BrNO2/c1-3-10(4-2)15-7-9-5-12-13(6-11(9)14)17-8-16-12/h5-6,10,15H,3-4,7-8H2,1-2H3