2-(6-methoxyquinolin-3-yl)ethan-1-amine

• ChemBase ID: 238860
• Molecular Formular: C12H14N2O
• Molecular Mass: 202.25236
• Monoisotopic Mass: 202.11061308
• SMILES: n1c2c(cc(cc2)OC)cc(c1)CCN
• Canonical SMILES: NCCc1cnc2c(c1)cc(cc2)OC
• InChI: InChI=1S/C12H14N2O/c1-15-11-2-3-12-10(7-11)6-9(4-5-13)8-14-12/h2-3,6-8H,4-5,13H2,1H3
• InChIKey: AMVRUBUZNZPNOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxyquinolin-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(6-methoxyquinolin-3-yl)ethanamine
• Synonyms: 2-(6-methoxyquinolin-3-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD22391992
• PubChem SID: 164294770
• PubChem CID: 71695371

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6203268
• LogD (pH = 7.4): -0.85574144
• Log P: 1.3876588
• Molar Refractivity: 59.6709 cm^3
• Polarizability: 24.641207 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.615

Product Information

• Purity: 95%