N-methyl-1,2,3,4-tetrahydroquinolin-5-amine

• ChemBase ID: 244698
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: c12c(NCCC2)cccc1NC
• Canonical SMILES: CNc1cccc2c1CCCN2
• InChI: InChI=1S/C10H14N2/c1-11-9-5-2-6-10-8(9)4-3-7-12-10/h2,5-6,11-12H,3-4,7H2,1H3
• InChIKey: ZUTLDBCRQXLYRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1,2,3,4-tetrahydroquinolin-5-amine
• IUPAC Traditional name: N-methyl-1,2,3,4-tetrahydroquinolin-5-amine
• Synonyms: N-methyl-1,2,3,4-tetrahydroquinolin-5-amine

Database IDs

• MDL Number: MFCD22741234
• PubChem SID: 164300608
• PubChem CID: 59150401

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1929251
• LogD (pH = 7.4): 1.3998905
• Log P: 1.4032593
• Molar Refractivity: 54.3562 cm^3
• Polarizability: 19.178724 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.684

Product Information

• Purity: 95%