2-methyl-1-(2-phenylethyl)-2H-pyridine;hydrobromide

C14H18BrN — CID 175128550

IUPAC2-methyl-1-(2-phenylethyl)-2H-pyridine;hydrobromide
SMILESBr.CC1C=CC=CN1CCc1ccccc1
InChIInChI=1S/C14H17N.BrH/c1-13-7-5-6-11-15(13)12-10-14-8-3-2-4-9-14;/h2-9,11,13H,10,12H2,1H3;1H
InChIKeyXQSKDFOOPUGSQA-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.58
Rot. Bonds3

About 2-methyl-1-(2-phenylethyl)-2H-pyridine;hydrobromide

2-methyl-1-(2-phenylethyl)-2H-pyridine;hydrobromide (PubChem CID 175128550) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is 2-methyl-1-(2-phenylethyl)-2H-pyridine;hydrobromide.

Molecular Properties

Compound Name2-methyl-1-(2-phenylethyl)-2H-pyridine;hydrobromide
PubChem CID175128550
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name2-methyl-1-(2-phenylethyl)-2H-pyridine;hydrobromide
SMILESBr.CC1C=CC=CN1CCc1ccccc1
InChIInChI=1S/C14H17N.BrH/c1-13-7-5-6-11-15(13)12-10-14-8-3-2-4-9-14;/h2-9,11,13H,10,12H2,1H3;1H
InChIKeyXQSKDFOOPUGSQA-UHFFFAOYSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenylethyl)-2H-pyridine;hydrobromide?
The IUPAC name of 2-methyl-1-(2-phenylethyl)-2H-pyridine;hydrobromide (CID 175128550) is 2-methyl-1-(2-phenylethyl)-2H-pyridine;hydrobromide.
What is the SMILES notation for 2-methyl-1-(2-phenylethyl)-2H-pyridine;hydrobromide?
The canonical SMILES for 2-methyl-1-(2-phenylethyl)-2H-pyridine;hydrobromide is Br.CC1C=CC=CN1CCc1ccccc1.
What is the InChIKey of 2-methyl-1-(2-phenylethyl)-2H-pyridine;hydrobromide?
The InChIKey is XQSKDFOOPUGSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N.BrH/c1-13-7-5-6-11-15(13)12-10-14-8-3-2-4-9-14;/h2-9,11,13H,10,12H2,1H3;1H.
What are the key properties of 2-methyl-1-(2-phenylethyl)-2H-pyridine;hydrobromide?
2-methyl-1-(2-phenylethyl)-2H-pyridine;hydrobromide has a molecular weight of 280.21 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenylethyl)-2H-pyridine;hydrobromide is sourced from PubChem (CID 175128550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).