2-(7-chloroquinolin-8-yl)ethan-1-amine

• ChemBase ID: 274017
• Molecular Formular: C11H11ClN2
• Molecular Mass: 206.67144
• Monoisotopic Mass: 206.06107604
• SMILES: c1(c2ncccc2ccc1Cl)CCN
• Canonical SMILES: NCCc1c(Cl)ccc2c1nccc2
• InChI: InChI=1S/C11H11ClN2/c12-10-4-3-8-2-1-7-14-11(8)9(10)5-6-13/h1-4,7H,5-6,13H2
• InChIKey: YSUDSCLNZTWERZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(7-chloroquinolin-8-yl)ethan-1-amine
• IUPAC Traditional name: 2-(7-chloroquinolin-8-yl)ethanamine
• Synonyms: 2-(7-chloroquinolin-8-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD18838710
• PubChem SID: 164329927
• PubChem CID: 54593001

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.847487
• LogD (pH = 7.4): 0.013589383
• Log P: 2.1493747
• Molar Refractivity: 58.0125 cm^3
• Polarizability: 23.963892 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.096

Product Information

• Purity: 95%