3,3-dimethyl-3,4-dihydroacridin-9-amine hydrochloride

• ChemBase ID: 180978
• Molecular Formular: C15H17ClN2
• Molecular Mass: 260.76188
• Monoisotopic Mass: 260.10802623
• SMILES: c12c(nc3c(c1N)cccc3)CC(C=C2)(C)C.Cl
• Canonical SMILES: Nc1c2C=CC(Cc2nc2c1cccc2)(C)C.Cl
• InChI: InChI=1S/C15H16N2.ClH/c1-15(2)8-7-11-13(9-15)17-12-6-4-3-5-10(12)14(11)16;/h3-8H,9H2,1-2H3,(H2,16,17);1H
• InChIKey: QKMDQVYTNKMSHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dimethyl-3,4-dihydroacridin-9-amine hydrochloride
• IUPAC Traditional name: 3,3-dimethyl-4H-acridin-9-amine hydrochloride

Database IDs

• PubChem SID: 164236888
• PubChem CID: 21639066

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1587853
• LogD (pH = 7.4): 1.9266112
• Log P: 2.9359891
• Molar Refractivity: 71.8784 cm^3
• Polarizability: 28.256186 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds