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

Systemtic Name: (1R)-1-(1-adamantyl)-N-[[3-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine Openeye Name: (1R)-1-(1-adamantyl)-N-[[3-methoxy-2-(2-thienylmethoxy)phenyl]methyl]ethanamine CAS Name: (1R)-1-(1-adamantyl)-N-[[3-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine IUPAC Name: (1R)-1-(1-adamantyl)-N-[[3-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-[3-methoxy-2-(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=C(C(=CC=C4)OC)OCC5=CC=CS5

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NCC4=C(C(=CC=C4)OC)OCC5=CC=CS5

InChI

InChI=1S/C25H33NO2S/c1-17(25-12-18-9-19(13-25)11-20(10-18)14-25)26-15-21-5-3-7-23(27-2)24(21)28-16-22-6-4-8-29-22/h3-8,17-20,26H,9-16H2,1-2H3/t17-,18?,19?,20?,25?/m1/s1