3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline

C21H27N — CID 170184396

IUPAC3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline
SMILESCc1ccc(-c2cc3c(cn2)C(C)(C)CCC3(C)C)c(C)c1
InChIInChI=1S/C21H27N/c1-14-7-8-16(15(2)11-14)19-12-17-18(13-22-19)21(5,6)10-9-20(17,3)4/h7-8,11-13H,9-10H2,1-6H3
InChIKeyDKHPHHZCKPYBTK-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.71
Rot. Bonds1

About 3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline

3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline (PubChem CID 170184396) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline
PubChem CID170184396
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline
SMILESCc1ccc(-c2cc3c(cn2)C(C)(C)CCC3(C)C)c(C)c1
InChIInChI=1S/C21H27N/c1-14-7-8-16(15(2)11-14)19-12-17-18(13-22-19)21(5,6)10-9-20(17,3)4/h7-8,11-13H,9-10H2,1-6H3
InChIKeyDKHPHHZCKPYBTK-UHFFFAOYSA-N
XLogP5.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline?
The IUPAC name of 3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline (CID 170184396) is 3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline?
The canonical SMILES for 3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline is Cc1ccc(-c2cc3c(cn2)C(C)(C)CCC3(C)C)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline?
The InChIKey is DKHPHHZCKPYBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-14-7-8-16(15(2)11-14)19-12-17-18(13-22-19)21(5,6)10-9-20(17,3)4/h7-8,11-13H,9-10H2,1-6H3.
What are the key properties of 3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline?
3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline has a molecular weight of 293.45 g/mol, XLogP of 5.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline is sourced from PubChem (CID 170184396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).