(2S)-N-[(5-bromanyl-2-ethoxy-3-methoxy-phenyl)methyl]butan-2-amine

Systemtic Name: (2S)-N-[(5-bromanyl-2-ethoxy-3-methoxy-phenyl)methyl]butan-2-amine Openeye Name: (2S)-N-[(5-bromo-2-ethoxy-3-methoxy-phenyl)methyl]butan-2-amine CAS Name: (2S)-N-[(5-bromo-2-ethoxy-3-methoxyphenyl)methyl]-2-butanamine IUPAC Name: (2S)-N-[(5-bromo-2-ethoxy-3-methoxyphenyl)methyl]butan-2-amine Traditional Name: (5-bromo-2-ethoxy-3-methoxy-benzyl)-[(1S)-1-methylpropyl]amine Formula: C14H22BrNO2 MolecularWeight: 316.23398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=CC(=CC(=C1OCC)OC)Br

Isomeric SMILES

CC[C@H](C)NCC1=CC(=CC(=C1OCC)OC)Br

InChI

InChI=1S/C14H22BrNO2/c1-5-10(3)16-9-11-7-12(15)8-13(17-4)14(11)18-6-2/h7-8,10,16H,5-6,9H2,1-4H3/t10-/m0/s1