1-(1-adamantyl)-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine

Systemtic Name: 1-(1-adamantyl)-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine Openeye Name: 1-(1-adamantyl)-N-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methyl]ethanamine CAS Name: 1-(1-adamantyl)-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine IUPAC Name: 1-(1-adamantyl)-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine Traditional Name: 1-(1-adamantyl)ethyl-[3-methoxy-4-(2-thenyloxy)benzyl]amine Formula: C25H33NO2S MolecularWeight: 411.60002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NCC4=CC(=C(C=C4)OCC5=CC=CS5)OC

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NCC4=CC(=C(C=C4)OCC5=CC=CS5)OC

InChI

InChI=1S/C25H33NO2S/c1-17(25-12-19-8-20(13-25)10-21(9-19)14-25)26-15-18-5-6-23(24(11-18)27-2)28-16-22-4-3-7-29-22/h3-7,11,17,19-21,26H,8-10,12-16H2,1-2H3