dimethyl({2-[({tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}amino)oxy]ethyl})amine

• ChemBase ID: 128671
• Molecular Formular: C19H22N2O
• Molecular Mass: 294.39078
• Monoisotopic Mass: 294.17321333
• SMILES: O(/N=C\1/c2c(cccc2)CCc2c1cccc2)CCN(C)C
• Canonical SMILES: CN(CCO/N=C/1\c2ccccc2CCc2c1cccc2)C
• InChI: InChI=1S/C19H22N2O/c1-21(2)13-14-22-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10H,11-14H2,1-2H3
• InChIKey: GPTURHKXTUDRPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({2-[({tricyclo[9.4.0.0^3,^8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}amino)oxy]ethyl})amine
• IUPAC Traditional name: dimethyl({2-[({tricyclo[9.4.0.0^3,^8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}amino)oxy]ethyl})amine
• Synonyms: Noxiptiline

Database IDs

• CAS Number: 4985-15-3
• PubChem SID: 162222978
• PubChem CID: 21087
• CHEMBL: 1697689
• Chemspider ID: 19832
• Unique Ingredient Identifier: DF7D3NY7EL
• Wikipedia Title: Noxiptiline

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8291904
• LogD (pH = 7.4): 3.603097
• Log P: 4.4018006
• Molar Refractivity: 91.2368 cm^3
• Polarizability: 34.88076 Å^3
• Polar Surface Area: 24.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Rx-only