tert-butyl N-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)carbamate

• ChemBase ID: 276601
• Molecular Formular: C15H22N2O3
• Molecular Mass: 278.34678
• Monoisotopic Mass: 278.16304257
• SMILES: c12C(NC(=O)OC(C)(C)C)CCNc1ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)C(CCN2)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-13-7-8-16-12-6-5-10(19-4)9-11(12)13/h5-6,9,13,16H,7-8H2,1-4H3,(H,17,18)
• InChIKey: KJFWZEYMTYKYHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)carbamate
• IUPAC Traditional name: tert-butyl N-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)carbamate
• Synonyms: tert-butyl N-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)carbamate

Database IDs

• MDL Number: MFCD19382241
• PubChem SID: 164332511
• PubChem CID: 54594258

CALCULATED PROPERTIES

• Polarizability: 29.893206 Å^3
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 14.178936
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7374437
• LogD (pH = 7.4): 1.8527321
• Log P: 1.8544204
• Molar Refractivity: 78.628 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.394

Product Information

• Purity: 95%