1-(2-methoxyethyl)-1,2,3,4-tetrahydroquinolin-7-amine

• ChemBase ID: 118400
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: c12N(CCCc2ccc(c1)N)CCOC
• Canonical SMILES: COCCN1CCCc2c1cc(N)cc2
• InChI: InChI=1S/C12H18N2O/c1-15-8-7-14-6-2-3-10-4-5-11(13)9-12(10)14/h4-5,9H,2-3,6-8,13H2,1H3
• InChIKey: JRQBWAUNCBSERA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-1,2,3,4-tetrahydroquinolin-7-amine
• IUPAC Traditional name: 1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-amine
• Synonyms: 1-(2-methoxyethyl)-1,2,3,4-tetrahydroquinolin-7-amine

Database IDs

• MDL Number: MFCD11936092
• PubChem SID: 162090238
• PubChem CID: 39241439

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5109036
• LogD (pH = 7.4): 1.6870594
• Log P: 1.6898454
• Molar Refractivity: 64.1411 cm^3
• Polarizability: 23.541914 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.452

Product Information

• Purity: 95+%