5-methyl-4-(2-methylbutan-2-yl)-2-phenylpyridine

C17H21N — CID 167209121

IUPAC5-methyl-4-(2-methylbutan-2-yl)-2-phenylpyridine
SMILESCCC(C)(C)c1cc(-c2ccccc2)ncc1C
InChIInChI=1S/C17H21N/c1-5-17(3,4)15-11-16(18-12-13(15)2)14-9-7-6-8-10-14/h6-12H,5H2,1-4H3
InChIKeyFBADMLQUTCGCPL-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.74
Rot. Bonds3

About 5-methyl-4-(2-methylbutan-2-yl)-2-phenylpyridine

5-methyl-4-(2-methylbutan-2-yl)-2-phenylpyridine (PubChem CID 167209121) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-methyl-4-(2-methylbutan-2-yl)-2-phenylpyridine.

Molecular Properties

Compound Name5-methyl-4-(2-methylbutan-2-yl)-2-phenylpyridine
PubChem CID167209121
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name5-methyl-4-(2-methylbutan-2-yl)-2-phenylpyridine
SMILESCCC(C)(C)c1cc(-c2ccccc2)ncc1C
InChIInChI=1S/C17H21N/c1-5-17(3,4)15-11-16(18-12-13(15)2)14-9-7-6-8-10-14/h6-12H,5H2,1-4H3
InChIKeyFBADMLQUTCGCPL-UHFFFAOYSA-N
XLogP4.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylbutan-2-yl)-2-phenylpyridine?
The IUPAC name of 5-methyl-4-(2-methylbutan-2-yl)-2-phenylpyridine (CID 167209121) is 5-methyl-4-(2-methylbutan-2-yl)-2-phenylpyridine.
What is the SMILES notation for 5-methyl-4-(2-methylbutan-2-yl)-2-phenylpyridine?
The canonical SMILES for 5-methyl-4-(2-methylbutan-2-yl)-2-phenylpyridine is CCC(C)(C)c1cc(-c2ccccc2)ncc1C.
What is the InChIKey of 5-methyl-4-(2-methylbutan-2-yl)-2-phenylpyridine?
The InChIKey is FBADMLQUTCGCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-5-17(3,4)15-11-16(18-12-13(15)2)14-9-7-6-8-10-14/h6-12H,5H2,1-4H3.
What are the key properties of 5-methyl-4-(2-methylbutan-2-yl)-2-phenylpyridine?
5-methyl-4-(2-methylbutan-2-yl)-2-phenylpyridine has a molecular weight of 239.36 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylbutan-2-yl)-2-phenylpyridine is sourced from PubChem (CID 167209121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).