2-(2-butan-2-ylphenyl)-3-methylpyridine

C16H19N — CID 130282558

IUPAC2-(2-butan-2-ylphenyl)-3-methylpyridine
SMILESCCC(C)c1ccccc1-c1ncccc1C
InChIInChI=1S/C16H19N/c1-4-12(2)14-9-5-6-10-15(14)16-13(3)8-7-11-17-16/h5-12H,4H2,1-3H3
InChIKeyJJPKDJDTMCIDGT-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.57
Rot. Bonds3

About 2-(2-butan-2-ylphenyl)-3-methylpyridine

2-(2-butan-2-ylphenyl)-3-methylpyridine (PubChem CID 130282558) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenyl)-3-methylpyridine.

Molecular Properties

Compound Name2-(2-butan-2-ylphenyl)-3-methylpyridine
PubChem CID130282558
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name2-(2-butan-2-ylphenyl)-3-methylpyridine
SMILESCCC(C)c1ccccc1-c1ncccc1C
InChIInChI=1S/C16H19N/c1-4-12(2)14-9-5-6-10-15(14)16-13(3)8-7-11-17-16/h5-12H,4H2,1-3H3
InChIKeyJJPKDJDTMCIDGT-UHFFFAOYSA-N
XLogP4.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenyl)-3-methylpyridine?
The IUPAC name of 2-(2-butan-2-ylphenyl)-3-methylpyridine (CID 130282558) is 2-(2-butan-2-ylphenyl)-3-methylpyridine.
What is the SMILES notation for 2-(2-butan-2-ylphenyl)-3-methylpyridine?
The canonical SMILES for 2-(2-butan-2-ylphenyl)-3-methylpyridine is CCC(C)c1ccccc1-c1ncccc1C.
What is the InChIKey of 2-(2-butan-2-ylphenyl)-3-methylpyridine?
The InChIKey is JJPKDJDTMCIDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-4-12(2)14-9-5-6-10-15(14)16-13(3)8-7-11-17-16/h5-12H,4H2,1-3H3.
What are the key properties of 2-(2-butan-2-ylphenyl)-3-methylpyridine?
2-(2-butan-2-ylphenyl)-3-methylpyridine has a molecular weight of 225.34 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenyl)-3-methylpyridine is sourced from PubChem (CID 130282558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).