(1R)-1-(1-adamantyl)-N-[[3-bromanyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine

Systemtic Name: (1R)-1-(1-adamantyl)-N-[[3-bromanyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine Openeye Name: (1R)-1-(1-adamantyl)-N-[[3-bromo-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl]ethanamine CAS Name: (1R)-1-(1-adamantyl)-N-[[3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine IUPAC Name: (1R)-1-(1-adamantyl)-N-[[3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-[3-bromo-5-methoxy-4-(2-thenyloxy)benzyl]amine Formula: C25H32BrNO2S MolecularWeight: 490.49608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32BrNO2S/c1-16(25-11-17-6-18(12-25)8-19(7-17)13-25)27-14-20-9-22(26)24(23(10-20)28-2)29-15-21-4-3-5-30-21/h3-5,9-10,16-19,27H,6-8,11-15H2,1-2H3/t16-,17?,18?,19?,25?/m1/s1