3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine

C20H27N — CID 140943602

IUPAC3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine
SMILESCc1nc(-c2ccc(CC(C)C)cc2)ccc1C(C)(C)C
InChIInChI=1S/C20H27N/c1-14(2)13-16-7-9-17(10-8-16)19-12-11-18(15(3)21-19)20(4,5)6/h7-12,14H,13H2,1-6H3
InChIKeyLOLLULOHJRAKLS-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.55
Rot. Bonds3

About 3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine

3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine (PubChem CID 140943602) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine.

Molecular Properties

Compound Name3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine
PubChem CID140943602
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine
SMILESCc1nc(-c2ccc(CC(C)C)cc2)ccc1C(C)(C)C
InChIInChI=1S/C20H27N/c1-14(2)13-16-7-9-17(10-8-16)19-12-11-18(15(3)21-19)20(4,5)6/h7-12,14H,13H2,1-6H3
InChIKeyLOLLULOHJRAKLS-UHFFFAOYSA-N
XLogP5.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-4-(4-tert-butylphenyl)benzene;1-tert-butyl-4-(4-tert-butylphenyl)-2-methylbenzene;5-tert-butyl-2-(4-tert-butylphenyl)-4-methylpyrimidine;1-tert-butyl-2-ethyl-4-octylbenzene;1-tert-butyl-4-heptyl-2-methylbenzene;1-tert-butyl-4-hexyl-2-methylbenzene;1-tert-butyl-2-methyl-4-[4-(2-methylpropyl)phenyl]benzene;3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine
CID 158112580
3-[4-(2-methylpropyl)phenyl]-1,2-oxazole
CID 26597218
4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole
CID 116887615
6-[4-(2-iodopropyl)phenyl]-2-methyl-3-propan-2-ylpyridine
CID 145310561
2-(4-methylphenyl)-5-(2-methylpropyl)pyridine
CID 71106004
3-(bromomethyl)-6-(4-tert-butylphenyl)-2-methylpyridine
CID 67155949
5-methyl-3-[4-(2-methylpropyl)phenyl]-1,2-oxazole
CID 143746738
3-tert-butyl-2,6-dimethylpyridine
CID 58870278
N-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine
CID 116897459
4-methyl-6-[4-(2-methylpropyl)phenyl]pyrimidine-2-carboxamide
CID 116897049
2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene
CID 139403851
1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]cyclopropan-1-amine
CID 116903535

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine?
The IUPAC name of 3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine (CID 140943602) is 3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine.
What is the SMILES notation for 3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine?
The canonical SMILES for 3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine is Cc1nc(-c2ccc(CC(C)C)cc2)ccc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine?
The InChIKey is LOLLULOHJRAKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-14(2)13-16-7-9-17(10-8-16)19-12-11-18(15(3)21-19)20(4,5)6/h7-12,14H,13H2,1-6H3.
What are the key properties of 3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine?
3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine has a molecular weight of 281.44 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine is sourced from PubChem (CID 140943602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).