6-methoxy-1,2,3,4-tetrahydroquinolin-4-amine

• ChemBase ID: 276594
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: c12c(NCCC2N)ccc(c1)OC
• Canonical SMILES: COc1ccc2c(c1)C(N)CCN2
• InChI: InChI=1S/C10H14N2O/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9,12H,4-5,11H2,1H3
• InChIKey: LLBCBFNOFUVCAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-1,2,3,4-tetrahydroquinolin-4-amine
• IUPAC Traditional name: 6-methoxy-1,2,3,4-tetrahydroquinolin-4-amine
• Synonyms: 6-methoxy-1,2,3,4-tetrahydroquinolin-4-amine

Database IDs

• MDL Number: MFCD19382234
• PubChem SID: 164332504
• PubChem CID: 54594251

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.6055713
• LogD (pH = 7.4): -1.4356849
• Log P: 0.362323
• Molar Refractivity: 53.755 cm^3
• Polarizability: 20.30315 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.641

Product Information

• Purity: 95%