About 2-(3-methoxyphenoxy)-N-methylaniline
2-(3-methoxyphenoxy)-N-methylaniline (PubChem CID 167220736) has the molecular formula C14H15NO2
and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-methylaniline.
Molecular Properties
| Compound Name | 2-(3-methoxyphenoxy)-N-methylaniline |
| PubChem CID | 167220736 |
| Molecular Formula | C14H15NO2 |
| Molecular Weight | 229.28 g/mol |
| Exact Mass | 229.11 |
| IUPAC Name | 2-(3-methoxyphenoxy)-N-methylaniline |
| SMILES | CNc1ccccc1Oc1cccc(OC)c1 |
| InChI | InChI=1S/C14H15NO2/c1-15-13-8-3-4-9-14(13)17-12-7-5-6-11(10-12)16-2/h3-10,15H,1-2H3 |
| InChIKey | KITNJVSXLHDLDR-UHFFFAOYSA-N |
| XLogP | 3.53 |
| TPSA | 30.49 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 | 229.28 |
| LogP ≤ 5 | 3.53 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-(3-methoxyphenoxy)-N-methylaniline?
The IUPAC name of 2-(3-methoxyphenoxy)-N-methylaniline (CID 167220736) is 2-(3-methoxyphenoxy)-N-methylaniline.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-methylaniline?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-methylaniline is CNc1ccccc1Oc1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-methylaniline?
The InChIKey is KITNJVSXLHDLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-15-13-8-3-4-9-14(13)17-12-7-5-6-11(10-12)16-2/h3-10,15H,1-2H3.
What are the key properties of 2-(3-methoxyphenoxy)-N-methylaniline?
2-(3-methoxyphenoxy)-N-methylaniline has a molecular weight of 229.28 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-methylaniline is sourced from PubChem (CID 167220736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).