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

Systemtic Name: (1R)-1-(1-adamantyl)-N-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methyl]ethanamine Openeye Name: (1R)-1-(1-adamantyl)-N-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methyl]ethanamine CAS Name: (1R)-1-(1-adamantyl)-N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]ethanamine IUPAC Name: (1R)-1-(1-adamantyl)-N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]ethanamine Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-(3-bromo-4-ethoxy-5-methoxy-benzyl)amine Formula: C22H32BrNO2 MolecularWeight: 422.39898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)CNC(C)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)CN[C@H](C)C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C22H32BrNO2/c1-4-26-21-19(23)8-18(9-20(21)25-3)13-24-14(2)22-10-15-5-16(11-22)7-17(6-15)12-22/h8-9,14-17,24H,4-7,10-13H2,1-3H3/t14-,15?,16?,17?,22?/m1/s1