2-phenyl-1,2,3,4-tetrahydroquinoline hydrochloride

• ChemBase ID: 236712
• Molecular Formular: C15H16ClN
• Molecular Mass: 245.74724
• Monoisotopic Mass: 245.0971272
• SMILES: N1c2c(CCC1c1ccccc1)cccc2.Cl
• Canonical SMILES: c1ccc(cc1)C1CCc2c(N1)cccc2.Cl
• InChI: InChI=1S/C15H15N.ClH/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;/h1-9,15-16H,10-11H2;1H
• InChIKey: HSHKFRIVZVHEEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22369840
• PubChem SID: 164292622
• PubChem CID: 71755763

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.7089741
• LogD (pH = 7.4): 3.7146485
• Log P: 3.7147212
• Molar Refractivity: 68.4452 cm^3
• Polarizability: 25.850203 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.623

Product Information

• Purity: 95%