(1S)-N,N-dibutyl-1-(5-chloranyl-2-ethoxy-phenyl)ethane-1,2-diamine

Systemtic Name: (1S)-N,N-dibutyl-1-(5-chloranyl-2-ethoxy-phenyl)ethane-1,2-diamine Openeye Name: (1S)-N,N-dibutyl-1-(5-chloro-2-ethoxy-phenyl)ethane-1,2-diamine CAS Name: (1S)-N,N-dibutyl-1-(5-chloro-2-ethoxyphenyl)ethane-1,2-diamine IUPAC Name: (1S)-N,N-dibutyl-1-(5-chloro-2-ethoxyphenyl)ethane-1,2-diamine Traditional Name: [(1S)-2-amino-1-(5-chloro-2-ethoxy-phenyl)ethyl]-dibutyl-amine Formula: C18H31ClN2O MolecularWeight: 326.90454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(CN)C1=C(C=CC(=C1)Cl)OCC

Isomeric SMILES

CCCCN(CCCC)[C@H](CN)C1=C(C=CC(=C1)Cl)OCC

InChI

InChI=1S/C18H31ClN2O/c1-4-7-11-21(12-8-5-2)17(14-20)16-13-15(19)9-10-18(16)22-6-3/h9-10,13,17H,4-8,11-12,14,20H2,1-3H3/t17-/m1/s1