6,7-dimethyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C17H20ClN — CID 23344357

IUPAC6,7-dimethyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCc1cc2c(c(-c3ccccc3)c1C)CNCC2.Cl
InChIInChI=1S/C17H19N.ClH/c1-12-10-15-8-9-18-11-16(15)17(13(12)2)14-6-4-3-5-7-14;/h3-7,10,18H,8-9,11H2,1-2H3;1H
InChIKeyJZNPGAHXJBPSJC-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.04
Rot. Bonds1

About 6,7-dimethyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

6,7-dimethyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 23344357) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 6,7-dimethyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name6,7-dimethyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID23344357
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name6,7-dimethyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCc1cc2c(c(-c3ccccc3)c1C)CNCC2.Cl
InChIInChI=1S/C17H19N.ClH/c1-12-10-15-8-9-18-11-16(15)17(13(12)2)14-6-4-3-5-7-14;/h3-7,10,18H,8-9,11H2,1-2H3;1H
InChIKeyJZNPGAHXJBPSJC-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 6,7-dimethyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 23344357) is 6,7-dimethyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 6,7-dimethyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 6,7-dimethyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is Cc1cc2c(c(-c3ccccc3)c1C)CNCC2.Cl.
What is the InChIKey of 6,7-dimethyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is JZNPGAHXJBPSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N.ClH/c1-12-10-15-8-9-18-11-16(15)17(13(12)2)14-6-4-3-5-7-14;/h3-7,10,18H,8-9,11H2,1-2H3;1H.
What are the key properties of 6,7-dimethyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
6,7-dimethyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 273.81 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 23344357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).