(E)-(2-aminoethoxy)[1-(4-chlorophenyl)-5-(2H3)methoxypentylidene]amine

• ChemBase ID: 164930
• Molecular Formular: C14H21ClN2O2
• Molecular Mass: 284.78174
• Monoisotopic Mass: 284.1291556
• SMILES: c1c(ccc(c1)/C(=N/OCCN)/CCCCOC)Cl
• Canonical SMILES: COCCCC/C(=N\OCCN)/c1ccc(cc1)Cl
• InChI: InChI=1S/C14H21ClN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h5-8H,2-4,9-11,16H2,1H3/b17-14+
• InChIKey: XXPVSQRPGBUFKM-SAPNQHFASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-(2-aminoethoxy)[1-(4-chlorophenyl)-5-(^2H₃)methoxypentylidene]amine
• IUPAC Traditional name: (E)-(2-aminoethoxy)[1-(4-chlorophenyl)-5-(^2H₃)methoxypentylidene]amine
• Synonyms: (1E)-1-(4-Chlorophenyl)-5-(methoxy-d3)pentanone O-(2-Aminoethyl)oxime; DU 23811-d3; Clovoxamine-d3

Database IDs

• PubChem SID: 162259064
• PubChem CID: 46781057

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.4203318
• LogD (pH = 7.4): 0.77376765
• Log P: 2.5215158
• Molar Refractivity: 78.0282 cm^3
• Polarizability: 30.552536 Å^3
• Polar Surface Area: 56.84 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - C587452

Labelled Clovoxamine had effects on sleep EEG. Antidepressant

REFERENCES

• Ochs, H.R., et al.: J. Clin. Pharmacol., 29, 91 (1989)
• Pivac, N., et al.: Life Sci., 68, 2423 (1989)
• Maria, B., et al.: J. Clin. Psychiatry, 67, 1974 (1989)