(2S)-4-(4-chloranyl-3,5-dimethyl-phenoxy)-N2,N2-diethyl-butane-1,2-diamine

Systemtic Name: (2S)-4-(4-chloranyl-3,5-dimethyl-phenoxy)-N2,N2-diethyl-butane-1,2-diamine Openeye Name: (2S)-4-(4-chloro-3,5-dimethyl-phenoxy)-N2,N2-diethyl-butane-1,2-diamine CAS Name: (2S)-4-(4-chloro-3,5-dimethylphenoxy)-N2,N2-diethylbutane-1,2-diamine IUPAC Name: (2S)-4-(4-chloro-3,5-dimethylphenoxy)-2-N,2-N-diethylbutane-1,2-diamine Traditional Name: [(1S)-1-(aminomethyl)-3-(4-chloro-3,5-dimethyl-phenoxy)propyl]-diethyl-amine Formula: C16H27ClN2O MolecularWeight: 298.85138

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CCOC1=CC(=C(C(=C1)C)Cl)C)CN

Isomeric SMILES

CCN(CC)[C@@H](CCOC1=CC(=C(C(=C1)C)Cl)C)CN

InChI

InChI=1S/C16H27ClN2O/c1-5-19(6-2)14(11-18)7-8-20-15-9-12(3)16(17)13(4)10-15/h9-10,14H,5-8,11,18H2,1-4H3/t14-/m0/s1