N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]butan-1-amine

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]butan-1-amine Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]butan-1-amine CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-butanamine IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]butan-1-amine Traditional Name: butyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]amine Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1COC2=CC=CC=C2O1

Isomeric SMILES

CCCCNC[C@H]1COC2=CC=CC=C2O1

InChI

InChI=1S/C13H19NO2/c1-2-3-8-14-9-11-10-15-12-6-4-5-7-13(12)16-11/h4-7,11,14H,2-3,8-10H2,1H3/t11-/m0/s1