N-[(3,4-dimethoxyphenyl)methyl]-3-methylsulfanyl-propan-1-amine

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-3-methylsulfanyl-propan-1-amine Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-3-methylsulfanyl-propan-1-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(methylthio)-1-propanamine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-3-methylsulfanylpropan-1-amine Traditional Name: 3-(methylthio)propyl-veratryl-amine Formula: C13H21NO2S MolecularWeight: 255.37634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCCCSC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNCCCSC)OC

InChI

InChI=1S/C13H21NO2S/c1-15-12-6-5-11(9-13(12)16-2)10-14-7-4-8-17-3/h5-6,9,14H,4,7-8,10H2,1-3H3