N-[(5-chloranyl-2-octoxy-phenyl)methyl]ethanamine

Systemtic Name: N-[(5-chloranyl-2-octoxy-phenyl)methyl]ethanamine Openeye Name: N-[(5-chloro-2-octoxy-phenyl)methyl]ethanamine CAS Name: N-[(5-chloro-2-octoxyphenyl)methyl]ethanamine IUPAC Name: N-[(5-chloro-2-octoxyphenyl)methyl]ethanamine Traditional Name: (5-chloro-2-octoxy-benzyl)-ethyl-amine Formula: C17H28ClNO MolecularWeight: 297.86332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)Cl)CNCC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)Cl)CNCC

InChI

InChI=1S/C17H28ClNO/c1-3-5-6-7-8-9-12-20-17-11-10-16(18)13-15(17)14-19-4-2/h10-11,13,19H,3-9,12,14H2,1-2H3