dimethyl(1,2,3,4-tetrahydroquinolin-2-ylmethyl)amine

• ChemBase ID: 282154
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1c2c(CCC1CN(C)C)cccc2
• Canonical SMILES: CN(CC1CCc2c(N1)cccc2)C
• InChI: InChI=1S/C12H18N2/c1-14(2)9-11-8-7-10-5-3-4-6-12(10)13-11/h3-6,11,13H,7-9H2,1-2H3
• InChIKey: JNRVQHYXILJMRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(1,2,3,4-tetrahydroquinolin-2-ylmethyl)amine
• IUPAC Traditional name: dimethyl(1,2,3,4-tetrahydroquinolin-2-ylmethyl)amine
• Synonyms: N,N-dimethyl-N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)amine

Database IDs

• MDL Number: MFCD16990807
• PubChem SID: 180667685
• PubChem CID: 50988949

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2635262
• LogD (pH = 7.4): 0.24973421
• Log P: 2.0088928
• Molar Refractivity: 61.8517 cm^3
• Polarizability: 23.271042 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.281

Product Information

• Purity: 95%