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

• ChemBase ID: 126641
• Molecular Formular: C14H21ClN2O2
• Molecular Mass: 284.78174
• Monoisotopic Mass: 284.1291556
• SMILES: COCCCC/C(=N/OCCN)/c1ccc(cc1)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
• InChIKey: XXPVSQRPGBUFKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethoxy)[1-(4-chlorophenyl)-5-methoxypentylidene]amine
• IUPAC Traditional name: clovoxamine
• Synonyms: Clovoxamine

Database IDs

• CAS Number: 54739-21-8
• PubChem SID: 162220971
• PubChem CID: 5464200; 6335903
• Chemspider ID: 4891461
• Unique Ingredient Identifier: 7I22J7RY2A
• Wikipedia Title: Clovoxamine

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

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled