About 2-(3-methoxyphenoxy)-1-pyridin-2-ylethanamine
2-(3-methoxyphenoxy)-1-pyridin-2-ylethanamine (PubChem CID 117241389) has the molecular formula C14H16N2O2
and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-1-pyridin-2-ylethanamine.
Molecular Properties
| Compound Name | 2-(3-methoxyphenoxy)-1-pyridin-2-ylethanamine |
| PubChem CID | 117241389 |
| Molecular Formula | C14H16N2O2 |
| Molecular Weight | 244.29 g/mol |
| Exact Mass | 244.12 |
| IUPAC Name | 2-(3-methoxyphenoxy)-1-pyridin-2-ylethanamine |
| SMILES | COc1cccc(OCC(N)c2ccccn2)c1 |
| InChI | InChI=1S/C14H16N2O2/c1-17-11-5-4-6-12(9-11)18-10-13(15)14-7-2-3-8-16-14/h2-9,13H,10,15H2,1H3 |
| InChIKey | OHKWGTSJXPYMJS-UHFFFAOYSA-N |
| XLogP | 2.17 |
| TPSA | 57.37 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 244.29 |
| LogP ≤ 5 | 2.17 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 2-(3-methoxyphenoxy)-1-pyridin-2-ylethanamine?
The IUPAC name of 2-(3-methoxyphenoxy)-1-pyridin-2-ylethanamine (CID 117241389) is 2-(3-methoxyphenoxy)-1-pyridin-2-ylethanamine.
What is the SMILES notation for 2-(3-methoxyphenoxy)-1-pyridin-2-ylethanamine?
The canonical SMILES for 2-(3-methoxyphenoxy)-1-pyridin-2-ylethanamine is COc1cccc(OCC(N)c2ccccn2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-1-pyridin-2-ylethanamine?
The InChIKey is OHKWGTSJXPYMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-17-11-5-4-6-12(9-11)18-10-13(15)14-7-2-3-8-16-14/h2-9,13H,10,15H2,1H3.
What are the key properties of 2-(3-methoxyphenoxy)-1-pyridin-2-ylethanamine?
2-(3-methoxyphenoxy)-1-pyridin-2-ylethanamine has a molecular weight of 244.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-1-pyridin-2-ylethanamine is sourced from PubChem (CID 117241389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).