N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine

• ChemBase ID: 198471
• Molecular Formular: C21H20N2O
• Molecular Mass: 316.3963
• Monoisotopic Mass: 316.15756327
• SMILES: c1(c2c(nc3c1cccc3)cccc2)NC(CCc1occc1)C
• Canonical SMILES: CC(Nc1c2ccccc2nc2c1cccc2)CCc1ccco1
• InChI: InChI=1S/C21H20N2O/c1-15(12-13-16-7-6-14-24-16)22-21-17-8-2-4-10-19(17)23-20-11-5-3-9-18(20)21/h2-11,14-15H,12-13H2,1H3,(H,22,23)
• InChIKey: XOGPDIWAQLSUDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine
• IUPAC Traditional name: N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine

Database IDs

• PubChem SID: 164254381
• PubChem CID: 4516381

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0638125
• LogD (pH = 7.4): 3.3133643
• Log P: 4.7576227
• Molar Refractivity: 97.1836 cm^3
• Polarizability: 39.476074 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds