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

• ChemBase ID: 248358
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: c12c(nccc1OCCC)C(N)CCC2
• Canonical SMILES: CCCOc1ccnc2c1CCCC2N
• InChI: InChI=1S/C12H18N2O/c1-2-8-15-11-6-7-14-12-9(11)4-3-5-10(12)13/h6-7,10H,2-5,8,13H2,1H3
• InChIKey: IDRFVJHAMVSERQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164304268
• PubChem CID: 71758455

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0107137
• LogD (pH = 7.4): 0.48664644
• Log P: 1.825455
• Molar Refractivity: 59.845 cm^3
• Polarizability: 23.713444 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.048

Product Information

• Purity: null%