4-[2-(2-methylphenyl)ethyl]pyridine

C14H15N — CID 54132329

IUPAC4-[2-(2-methylphenyl)ethyl]pyridine
SMILESCc1ccccc1CCc1ccncc1
InChIInChI=1S/C14H15N/c1-12-4-2-3-5-14(12)7-6-13-8-10-15-11-9-13/h2-5,8-11H,6-7H2,1H3
InChIKeyDZBVKWDKIAYMBN-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.18
Rot. Bonds3

About 4-[2-(2-methylphenyl)ethyl]pyridine

4-[2-(2-methylphenyl)ethyl]pyridine (PubChem CID 54132329) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-[2-(2-methylphenyl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-(2-methylphenyl)ethyl]pyridine
PubChem CID54132329
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name4-[2-(2-methylphenyl)ethyl]pyridine
SMILESCc1ccccc1CCc1ccncc1
InChIInChI=1S/C14H15N/c1-12-4-2-3-5-14(12)7-6-13-8-10-15-11-9-13/h2-5,8-11H,6-7H2,1H3
InChIKeyDZBVKWDKIAYMBN-UHFFFAOYSA-N
XLogP3.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylphenyl)ethyl]pyridine?
The IUPAC name of 4-[2-(2-methylphenyl)ethyl]pyridine (CID 54132329) is 4-[2-(2-methylphenyl)ethyl]pyridine.
What is the SMILES notation for 4-[2-(2-methylphenyl)ethyl]pyridine?
The canonical SMILES for 4-[2-(2-methylphenyl)ethyl]pyridine is Cc1ccccc1CCc1ccncc1.
What is the InChIKey of 4-[2-(2-methylphenyl)ethyl]pyridine?
The InChIKey is DZBVKWDKIAYMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-12-4-2-3-5-14(12)7-6-13-8-10-15-11-9-13/h2-5,8-11H,6-7H2,1H3.
What are the key properties of 4-[2-(2-methylphenyl)ethyl]pyridine?
4-[2-(2-methylphenyl)ethyl]pyridine has a molecular weight of 197.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylphenyl)ethyl]pyridine is sourced from PubChem (CID 54132329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).