4-methoxy-5,6,7,8-tetrahydroquinolin-8-amine

• ChemBase ID: 247938
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: c12c(nccc1OC)C(N)CCC2
• Canonical SMILES: COc1ccnc2c1CCCC2N
• InChI: InChI=1S/C10H14N2O/c1-13-9-5-6-12-10-7(9)3-2-4-8(10)11/h5-6,8H,2-4,11H2,1H3
• InChIKey: RAAFWHDPWRQKAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-5,6,7,8-tetrahydroquinolin-8-amine
• IUPAC Traditional name: 4-methoxy-5,6,7,8-tetrahydroquinolin-8-amine
• Synonyms: 4-methoxy-5,6,7,8-tetrahydroquinolin-8-amine

Database IDs

• MDL Number: MFCD20723742
• PubChem SID: 164303848
• PubChem CID: 22018617

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8914478
• LogD (pH = 7.4): -0.3935933
• Log P: 0.94612455
• Molar Refractivity: 50.5724 cm^3
• Polarizability: 20.027235 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.99

Product Information

• Purity: 95%