About [2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine
[2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine (PubChem CID 64853407) has the molecular formula C14H15FN2O
and a molecular weight of 246.28 g/mol. Its IUPAC name is [2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine.
Molecular Properties
| Compound Name | [2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine |
| PubChem CID | 64853407 |
| Molecular Formula | C14H15FN2O |
| Molecular Weight | 246.28 g/mol |
| Exact Mass | 246.12 |
| IUPAC Name | [2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine |
| SMILES | Cc1ccc(F)c(Oc2nc(C)ccc2CN)c1 |
| InChI | InChI=1S/C14H15FN2O/c1-9-3-6-12(15)13(7-9)18-14-11(8-16)5-4-10(2)17-14/h3-7H,8,16H2,1-2H3 |
| InChIKey | YWJKVBNUOKEAQV-UHFFFAOYSA-N |
| XLogP | 3.09 |
| TPSA | 48.14 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 246.28 |
| LogP ≤ 5 | 3.09 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of [2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine?
The IUPAC name of [2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine (CID 64853407) is [2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine is Cc1ccc(F)c(Oc2nc(C)ccc2CN)c1.
What is the InChIKey of [2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine?
The InChIKey is YWJKVBNUOKEAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9-3-6-12(15)13(7-9)18-14-11(8-16)5-4-10(2)17-14/h3-7H,8,16H2,1-2H3.
What are the key properties of [2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine?
[2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine has a molecular weight of 246.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 64853407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).