[3-(9,9-dimethyl-9,10-dihydroacridin-10-yl)propyl]dimethylamine

• ChemBase ID: 127065
• Molecular Formular: C20H26N2
• Molecular Mass: 294.43384
• Monoisotopic Mass: 294.20959884
• SMILES: CC1(c2ccccc2N(c2ccccc12)CCCN(C)C)C
• Canonical SMILES: CN(CCCN1c2ccccc2C(c2c1cccc2)(C)C)C
• InChI: InChI=1S/C20H26N2/c1-20(2)16-10-5-7-12-18(16)22(15-9-14-21(3)4)19-13-8-6-11-17(19)20/h5-8,10-13H,9,14-15H2,1-4H3
• InChIKey: RYQOGSFEJBUZBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(9,9-dimethyl-9,10-dihydroacridin-10-yl)propyl]dimethylamine
• IUPAC Traditional name: dimetacrine
• Synonyms: Dimetacrine

Database IDs

• CAS Number: 4757-55-5
• PubChem SID: 162221388
• PubChem CID: 94280
• ATC CODE: N06AA18
• Chemspider ID: 85085
• KEGG ID: D02565
• Unique Ingredient Identifier: O341NY501N
• Wikipedia Title: Dimetacrine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1337421
• LogD (pH = 7.4): 2.625707
• Log P: 4.4210663
• Molar Refractivity: 105.5227 cm^3
• Polarizability: 36.593575 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

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