N-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine

• ChemBase ID: 244601
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: c12ncccc1CCCC2NCCOC
• Canonical SMILES: COCCNC1CCCc2c1nccc2
• InChI: InChI=1S/C12H18N2O/c1-15-9-8-13-11-6-2-4-10-5-3-7-14-12(10)11/h3,5,7,11,13H,2,4,6,8-9H2,1H3
• InChIKey: UNCJGJLUHGURAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine
• IUPAC Traditional name: N-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine
• Synonyms: N-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine

Database IDs

• MDL Number: MFCD21790640
• PubChem SID: 164300511
• PubChem CID: 71683226

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0603789
• LogD (pH = 7.4): 0.67138696
• Log P: 1.4894007
• Molar Refractivity: 59.9273 cm^3
• Polarizability: 23.731047 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.157

Product Information

• Purity: 95%