2-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine

C13H15N3O — CID 170868674

IUPAC2-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine
SMILESCc1cncc(Oc2cccc(CCN)c2)n1
InChIInChI=1S/C13H15N3O/c1-10-8-15-9-13(16-10)17-12-4-2-3-11(7-12)5-6-14/h2-4,7-9H,5-6,14H2,1H3
InChIKeyQYZZIWGGPBUPGA-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.08
Rot. Bonds4

About 2-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine

2-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine (PubChem CID 170868674) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine
PubChem CID170868674
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine
SMILESCc1cncc(Oc2cccc(CCN)c2)n1
InChIInChI=1S/C13H15N3O/c1-10-8-15-9-13(16-10)17-12-4-2-3-11(7-12)5-6-14/h2-4,7-9H,5-6,14H2,1H3
InChIKeyQYZZIWGGPBUPGA-UHFFFAOYSA-N
XLogP2.08
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine?
The IUPAC name of 2-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine (CID 170868674) is 2-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine.
What is the SMILES notation for 2-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine?
The canonical SMILES for 2-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine is Cc1cncc(Oc2cccc(CCN)c2)n1.
What is the InChIKey of 2-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine?
The InChIKey is QYZZIWGGPBUPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-8-15-9-13(16-10)17-12-4-2-3-11(7-12)5-6-14/h2-4,7-9H,5-6,14H2,1H3.
What are the key properties of 2-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine?
2-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine has a molecular weight of 229.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 170868674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).