2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanamine

C13H13ClFN3 — CID 105178948

IUPAC2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanamine
SMILESCc1cnc(C(N)Cc2cccc(F)c2Cl)cn1
InChIInChI=1S/C13H13ClFN3/c1-8-6-18-12(7-17-8)11(16)5-9-3-2-4-10(15)13(9)14/h2-4,6-7,11H,5,16H2,1H3
InChIKeyWYNXFXBZWLHKHG-UHFFFAOYSA-N
MW265.72 g/mol
LogP2.82
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanamine

2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanamine (PubChem CID 105178948) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanamine
PubChem CID105178948
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanamine
SMILESCc1cnc(C(N)Cc2cccc(F)c2Cl)cn1
InChIInChI=1S/C13H13ClFN3/c1-8-6-18-12(7-17-8)11(16)5-9-3-2-4-10(15)13(9)14/h2-4,6-7,11H,5,16H2,1H3
InChIKeyWYNXFXBZWLHKHG-UHFFFAOYSA-N
XLogP2.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 112653700
N-[2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105178875
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 105032385
2-(2-chloro-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 112653778
2-(5-chlorothiophen-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine
CID 105135301
[2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
CID 105261419
2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol
CID 105081261
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115983920
[2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]hydrazine
CID 105297985
2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
CID 105032399
3-(2-chloro-3-fluorophenyl)-1,1-dimethoxypropan-2-amine
CID 112653856
2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 105032520

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanamine (CID 105178948) is 2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanamine is Cc1cnc(C(N)Cc2cccc(F)c2Cl)cn1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanamine?
The InChIKey is WYNXFXBZWLHKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-8-6-18-12(7-17-8)11(16)5-9-3-2-4-10(15)13(9)14/h2-4,6-7,11H,5,16H2,1H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanamine?
2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanamine has a molecular weight of 265.72 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanamine is sourced from PubChem (CID 105178948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).