About 6-[(3-ethylphenoxy)methyl]pyridin-2-amine
6-[(3-ethylphenoxy)methyl]pyridin-2-amine (PubChem CID 79239703) has the molecular formula C14H16N2O
and a molecular weight of 228.29 g/mol. Its IUPAC name is 6-[(3-ethylphenoxy)methyl]pyridin-2-amine.
Molecular Properties
| Compound Name | 6-[(3-ethylphenoxy)methyl]pyridin-2-amine |
| PubChem CID | 79239703 |
| Molecular Formula | C14H16N2O |
| Molecular Weight | 228.29 g/mol |
| Exact Mass | 228.13 |
| IUPAC Name | 6-[(3-ethylphenoxy)methyl]pyridin-2-amine |
| SMILES | CCc1cccc(OCc2cccc(N)n2)c1 |
| InChI | InChI=1S/C14H16N2O/c1-2-11-5-3-7-13(9-11)17-10-12-6-4-8-14(15)16-12/h3-9H,2,10H2,1H3,(H2,15,16) |
| InChIKey | YKFUXIVUTAZSNZ-UHFFFAOYSA-N |
| XLogP | 2.81 |
| TPSA | 48.14 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 228.29 |
| LogP ≤ 5 | 2.81 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 6-[(3-ethylphenoxy)methyl]pyridin-2-amine?
The IUPAC name of 6-[(3-ethylphenoxy)methyl]pyridin-2-amine (CID 79239703) is 6-[(3-ethylphenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[(3-ethylphenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 6-[(3-ethylphenoxy)methyl]pyridin-2-amine is CCc1cccc(OCc2cccc(N)n2)c1.
What is the InChIKey of 6-[(3-ethylphenoxy)methyl]pyridin-2-amine?
The InChIKey is YKFUXIVUTAZSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-11-5-3-7-13(9-11)17-10-12-6-4-8-14(15)16-12/h3-9H,2,10H2,1H3,(H2,15,16).
What are the key properties of 6-[(3-ethylphenoxy)methyl]pyridin-2-amine?
6-[(3-ethylphenoxy)methyl]pyridin-2-amine has a molecular weight of 228.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethylphenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 79239703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).