2-ethyl-1,2,3,4-tetrahydroquinoline

• ChemBase ID: 286668
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: N1c2c(CCC1CC)cccc2
• Canonical SMILES: CCC1CCc2c(N1)cccc2
• InChI: InChI=1S/C11H15N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h3-6,10,12H,2,7-8H2,1H3
• InChIKey: KBEJREJHQMPXJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 2-ethyl-1,2,3,4-tetrahydroquinoline
• Synonyms: 2-ethyl-1,2,3,4-tetrahydroquinoline

Database IDs

• MDL Number: MFCD18448583
• PubChem SID: 180672199
• PubChem CID: 14299241

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7739766
• LogD (pH = 7.4): 2.8682334
• Log P: 2.8695786
• Molar Refractivity: 53.1052 cm^3
• Polarizability: 19.905832 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.233

Product Information

• Purity: 95%