4-tert-butyl-6-(3,4-dimethylphenyl)-2,3-dimethylpyridine;ethane

C21H31N — CID 145160600

IUPAC4-tert-butyl-6-(3,4-dimethylphenyl)-2,3-dimethylpyridine;ethane
SMILESCC.Cc1ccc(-c2cc(C(C)(C)C)c(C)c(C)n2)cc1C
InChIInChI=1S/C19H25N.C2H6/c1-12-8-9-16(10-13(12)2)18-11-17(19(5,6)7)14(3)15(4)20-18;1-2/h8-11H,1-7H3;1-2H3
InChIKeyDCAWCUHZWDEGKA-UHFFFAOYSA-N
MW297.49 g/mol
LogP6.31
Rot. Bonds1

About 4-tert-butyl-6-(3,4-dimethylphenyl)-2,3-dimethylpyridine;ethane

4-tert-butyl-6-(3,4-dimethylphenyl)-2,3-dimethylpyridine;ethane (PubChem CID 145160600) has the molecular formula C21H31N and a molecular weight of 297.49 g/mol. Its IUPAC name is 4-tert-butyl-6-(3,4-dimethylphenyl)-2,3-dimethylpyridine;ethane.

Molecular Properties

Compound Name4-tert-butyl-6-(3,4-dimethylphenyl)-2,3-dimethylpyridine;ethane
PubChem CID145160600
Molecular FormulaC21H31N
Molecular Weight297.49 g/mol
Exact Mass297.25
IUPAC Name4-tert-butyl-6-(3,4-dimethylphenyl)-2,3-dimethylpyridine;ethane
SMILESCC.Cc1ccc(-c2cc(C(C)(C)C)c(C)c(C)n2)cc1C
InChIInChI=1S/C19H25N.C2H6/c1-12-8-9-16(10-13(12)2)18-11-17(19(5,6)7)14(3)15(4)20-18;1-2/h8-11H,1-7H3;1-2H3
InChIKeyDCAWCUHZWDEGKA-UHFFFAOYSA-N
XLogP6.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.49
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 62481951
2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol
CID 116895699
4-tert-butyl-2-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 145160538
4-tert-butyl-6-(4-chlorophenyl)-2-methylpyridin-3-amine
CID 142310931
4-(3-tert-butylphenyl)-1,2-dimethylbenzene
CID 59105932
4-(3,4-dimethylphenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 75360175
2-tert-butyl-6-(3,4-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 80975520
4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene
CID 159618631
6-(3,4-dimethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716647
6-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carbonitrile
CID 116857855
2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride
CID 47104793
2-tert-butyl-6-(3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106516502

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(3,4-dimethylphenyl)-2,3-dimethylpyridine;ethane?
The IUPAC name of 4-tert-butyl-6-(3,4-dimethylphenyl)-2,3-dimethylpyridine;ethane (CID 145160600) is 4-tert-butyl-6-(3,4-dimethylphenyl)-2,3-dimethylpyridine;ethane.
What is the SMILES notation for 4-tert-butyl-6-(3,4-dimethylphenyl)-2,3-dimethylpyridine;ethane?
The canonical SMILES for 4-tert-butyl-6-(3,4-dimethylphenyl)-2,3-dimethylpyridine;ethane is CC.Cc1ccc(-c2cc(C(C)(C)C)c(C)c(C)n2)cc1C.
What is the InChIKey of 4-tert-butyl-6-(3,4-dimethylphenyl)-2,3-dimethylpyridine;ethane?
The InChIKey is DCAWCUHZWDEGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N.C2H6/c1-12-8-9-16(10-13(12)2)18-11-17(19(5,6)7)14(3)15(4)20-18;1-2/h8-11H,1-7H3;1-2H3.
What are the key properties of 4-tert-butyl-6-(3,4-dimethylphenyl)-2,3-dimethylpyridine;ethane?
4-tert-butyl-6-(3,4-dimethylphenyl)-2,3-dimethylpyridine;ethane has a molecular weight of 297.49 g/mol, XLogP of 6.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(3,4-dimethylphenyl)-2,3-dimethylpyridine;ethane is sourced from PubChem (CID 145160600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).