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

C20H25N — CID 129074693

IUPAC5,5,8,8-tetramethyl-3-(4-methylphenyl)-6,7-dihydroisoquinoline
SMILESCc1ccc(-c2cc3c(cn2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C20H25N/c1-14-6-8-15(9-7-14)18-12-16-17(13-21-18)20(4,5)11-10-19(16,2)3/h6-9,12-13H,10-11H2,1-5H3
InChIKeyCYSBBDVMDIUAJN-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.41
Rot. Bonds1

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

5,5,8,8-tetramethyl-3-(4-methylphenyl)-6,7-dihydroisoquinoline (PubChem CID 129074693) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 5,5,8,8-tetramethyl-3-(4-methylphenyl)-6,7-dihydroisoquinoline.

Molecular Properties

Compound Name5,5,8,8-tetramethyl-3-(4-methylphenyl)-6,7-dihydroisoquinoline
PubChem CID129074693
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name5,5,8,8-tetramethyl-3-(4-methylphenyl)-6,7-dihydroisoquinoline
SMILESCc1ccc(-c2cc3c(cn2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C20H25N/c1-14-6-8-15(9-7-14)18-12-16-17(13-21-18)20(4,5)11-10-19(16,2)3/h6-9,12-13H,10-11H2,1-5H3
InChIKeyCYSBBDVMDIUAJN-UHFFFAOYSA-N
XLogP5.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline
CID 170184396
5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline
CID 140789925
3-(2,6-dimethyl-3-pyridinyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;ethane;5,5,8,8-tetramethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydroisoquinoline
CID 144898406
5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine
CID 140789867
iridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline
CID 140790056
6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-3-amine
CID 116525884
5-(2,6-dimethylphenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine
CID 155602203
1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene
CID 21477505
5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine
CID 118300467
4-(4-methylphenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)furan
CID 14726505
2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)-9H-indeno[2,1-b]pyridine
CID 157110491
trimethyl-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]silane
CID 156686707

Frequently Asked Questions

What is the IUPAC name of 5,5,8,8-tetramethyl-3-(4-methylphenyl)-6,7-dihydroisoquinoline?
The IUPAC name of 5,5,8,8-tetramethyl-3-(4-methylphenyl)-6,7-dihydroisoquinoline (CID 129074693) is 5,5,8,8-tetramethyl-3-(4-methylphenyl)-6,7-dihydroisoquinoline.
What is the SMILES notation for 5,5,8,8-tetramethyl-3-(4-methylphenyl)-6,7-dihydroisoquinoline?
The canonical SMILES for 5,5,8,8-tetramethyl-3-(4-methylphenyl)-6,7-dihydroisoquinoline is Cc1ccc(-c2cc3c(cn2)C(C)(C)CCC3(C)C)cc1.
What is the InChIKey of 5,5,8,8-tetramethyl-3-(4-methylphenyl)-6,7-dihydroisoquinoline?
The InChIKey is CYSBBDVMDIUAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-14-6-8-15(9-7-14)18-12-16-17(13-21-18)20(4,5)11-10-19(16,2)3/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of 5,5,8,8-tetramethyl-3-(4-methylphenyl)-6,7-dihydroisoquinoline?
5,5,8,8-tetramethyl-3-(4-methylphenyl)-6,7-dihydroisoquinoline has a molecular weight of 279.43 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,8,8-tetramethyl-3-(4-methylphenyl)-6,7-dihydroisoquinoline is sourced from PubChem (CID 129074693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).