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

• ChemBase ID: 176655
• Molecular Formular: C15H16ClN
• Molecular Mass: 245.74724
• Monoisotopic Mass: 245.0971272
• SMILES: c1ccc2c(c1)C(CNC2)c1ccccc1.Cl
• Canonical SMILES: c1ccc(cc1)C1CNCc2c1cccc2.Cl
• InChI: InChI=1S/C15H15N.ClH/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15;/h1-9,15-16H,10-11H2;1H
• InChIKey: YYCOJKPDBCMVPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
• IUPAC Traditional name: 4-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
• Synonyms: 1,2,3,4-Tetrahydro-4-phenyl-isoquinoline Hydrochloride; 4-Phenyl-1,2,3,4-tetrahydroisoquinoline Hydrochloride

Database IDs

• CAS Number: 6109-35-9; 75626-12-9
• MDL Number: MFCD00673906
• PubChem SID: 164232565
• PubChem CID: 12999296

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.083158076
• LogD (pH = 7.4): 1.1023067
• Log P: 3.07026
• Molar Refractivity: 67.1822 cm^3
• Polarizability: 26.255322 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Water
• Melting Point: 222 - 224°C
• Hydrophobicity(logP): 3.153

Product Information

• Purity: 95%
• Salt Data: HCl

DETAILS

Toronto Research Chemicals - P336935

An inhibitor of release of dopamine induced by methamphetamine.

REFERENCES

• Tateyama, et al.: Eur. J. Pharmacol., 240, 51 (1993)