About 6-(2-methoxyethoxy)-N-(2-phenylethyl)pyridin-3-amine
6-(2-methoxyethoxy)-N-(2-phenylethyl)pyridin-3-amine (PubChem CID 43688348) has the molecular formula C16H20N2O2
and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-N-(2-phenylethyl)pyridin-3-amine.
Molecular Properties
| Compound Name | 6-(2-methoxyethoxy)-N-(2-phenylethyl)pyridin-3-amine |
| PubChem CID | 43688348 |
| Molecular Formula | C16H20N2O2 |
| Molecular Weight | 272.35 g/mol |
| Exact Mass | 272.15 |
| IUPAC Name | 6-(2-methoxyethoxy)-N-(2-phenylethyl)pyridin-3-amine |
| SMILES | COCCOc1ccc(NCCc2ccccc2)cn1 |
| InChI | InChI=1S/C16H20N2O2/c1-19-11-12-20-16-8-7-15(13-18-16)17-10-9-14-5-3-2-4-6-14/h2-8,13,17H,9-12H2,1H3 |
| InChIKey | DJTXJCXUICLNJC-UHFFFAOYSA-N |
| XLogP | 2.76 |
| TPSA | 43.38 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 272.35 |
| LogP ≤ 5 | 2.76 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-(2-methoxyethoxy)-N-(2-phenylethyl)pyridin-3-amine?
The IUPAC name of 6-(2-methoxyethoxy)-N-(2-phenylethyl)pyridin-3-amine (CID 43688348) is 6-(2-methoxyethoxy)-N-(2-phenylethyl)pyridin-3-amine.
What is the SMILES notation for 6-(2-methoxyethoxy)-N-(2-phenylethyl)pyridin-3-amine?
The canonical SMILES for 6-(2-methoxyethoxy)-N-(2-phenylethyl)pyridin-3-amine is COCCOc1ccc(NCCc2ccccc2)cn1.
What is the InChIKey of 6-(2-methoxyethoxy)-N-(2-phenylethyl)pyridin-3-amine?
The InChIKey is DJTXJCXUICLNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-19-11-12-20-16-8-7-15(13-18-16)17-10-9-14-5-3-2-4-6-14/h2-8,13,17H,9-12H2,1H3.
What are the key properties of 6-(2-methoxyethoxy)-N-(2-phenylethyl)pyridin-3-amine?
6-(2-methoxyethoxy)-N-(2-phenylethyl)pyridin-3-amine has a molecular weight of 272.35 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-N-(2-phenylethyl)pyridin-3-amine is sourced from PubChem (CID 43688348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).