6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C17H20ClN — CID 52983529

IUPAC6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCc1ccc2c(c1)CCNC2c1ccccc1C.Cl
InChIInChI=1S/C17H19N.ClH/c1-12-7-8-16-14(11-12)9-10-18-17(16)15-6-4-3-5-13(15)2;/h3-8,11,17-18H,9-10H2,1-2H3;1H
InChIKeyHUNRIEPLQGTQQX-UHFFFAOYSA-N
MW273.81 g/mol
LogP3.96
Rot. Bonds1

About 6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride

6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 52983529) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID52983529
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCc1ccc2c(c1)CCNC2c1ccccc1C.Cl
InChIInChI=1S/C17H19N.ClH/c1-12-7-8-16-14(11-12)9-10-18-17(16)15-6-4-3-5-13(15)2;/h3-8,11,17-18H,9-10H2,1-2H3;1H
InChIKeyHUNRIEPLQGTQQX-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 52983529) is 6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride is Cc1ccc2c(c1)CCNC2c1ccccc1C.Cl.
What is the InChIKey of 6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is HUNRIEPLQGTQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N.ClH/c1-12-7-8-16-14(11-12)9-10-18-17(16)15-6-4-3-5-13(15)2;/h3-8,11,17-18H,9-10H2,1-2H3;1H.
What are the key properties of 6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 273.81 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 52983529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).