3-(2-methylphenyl)-2-propan-2-ylpyridine

C15H17N — CID 90162287

IUPAC3-(2-methylphenyl)-2-propan-2-ylpyridine
SMILESCc1ccccc1-c1cccnc1C(C)C
InChIInChI=1S/C15H17N/c1-11(2)15-14(9-6-10-16-15)13-8-5-4-7-12(13)3/h4-11H,1-3H3
InChIKeySXTNQPUNMGXTRJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP4.18
Rot. Bonds2

About 3-(2-methylphenyl)-2-propan-2-ylpyridine

3-(2-methylphenyl)-2-propan-2-ylpyridine (PubChem CID 90162287) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2-propan-2-ylpyridine.

Molecular Properties

Compound Name3-(2-methylphenyl)-2-propan-2-ylpyridine
PubChem CID90162287
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name3-(2-methylphenyl)-2-propan-2-ylpyridine
SMILESCc1ccccc1-c1cccnc1C(C)C
InChIInChI=1S/C15H17N/c1-11(2)15-14(9-6-10-16-15)13-8-5-4-7-12(13)3/h4-11H,1-3H3
InChIKeySXTNQPUNMGXTRJ-UHFFFAOYSA-N
XLogP4.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2-propan-2-ylpyridine?
The IUPAC name of 3-(2-methylphenyl)-2-propan-2-ylpyridine (CID 90162287) is 3-(2-methylphenyl)-2-propan-2-ylpyridine.
What is the SMILES notation for 3-(2-methylphenyl)-2-propan-2-ylpyridine?
The canonical SMILES for 3-(2-methylphenyl)-2-propan-2-ylpyridine is Cc1ccccc1-c1cccnc1C(C)C.
What is the InChIKey of 3-(2-methylphenyl)-2-propan-2-ylpyridine?
The InChIKey is SXTNQPUNMGXTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-11(2)15-14(9-6-10-16-15)13-8-5-4-7-12(13)3/h4-11H,1-3H3.
What are the key properties of 3-(2-methylphenyl)-2-propan-2-ylpyridine?
3-(2-methylphenyl)-2-propan-2-ylpyridine has a molecular weight of 211.31 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-2-propan-2-ylpyridine is sourced from PubChem (CID 90162287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).