About 5-(2-morpholin-4-ylethoxy)-2H-chromen-8-amine
5-(2-morpholin-4-ylethoxy)-2H-chromen-8-amine (PubChem CID 44596930) has the molecular formula C15H20N2O3
and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(2-morpholin-4-ylethoxy)-2H-chromen-8-amine.
Molecular Properties
| Compound Name | 5-(2-morpholin-4-ylethoxy)-2H-chromen-8-amine |
| PubChem CID | 44596930 |
| Molecular Formula | C15H20N2O3 |
| Molecular Weight | 276.34 g/mol |
| Exact Mass | 276.15 |
| IUPAC Name | 5-(2-morpholin-4-ylethoxy)-2H-chromen-8-amine |
| SMILES | Nc1ccc(OCCN2CCOCC2)c2c1OCC=C2 |
| InChI | InChI=1S/C15H20N2O3/c16-13-3-4-14(12-2-1-8-20-15(12)13)19-11-7-17-5-9-18-10-6-17/h1-4H,5-11,16H2 |
| InChIKey | UJJJSDCQAWSWRX-UHFFFAOYSA-N |
| XLogP | 1.39 |
| TPSA | 56.95 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 276.34 |
| LogP ≤ 5 | 1.39 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of 5-(2-morpholin-4-ylethoxy)-2H-chromen-8-amine?
The IUPAC name of 5-(2-morpholin-4-ylethoxy)-2H-chromen-8-amine (CID 44596930) is 5-(2-morpholin-4-ylethoxy)-2H-chromen-8-amine.
What is the SMILES notation for 5-(2-morpholin-4-ylethoxy)-2H-chromen-8-amine?
The canonical SMILES for 5-(2-morpholin-4-ylethoxy)-2H-chromen-8-amine is Nc1ccc(OCCN2CCOCC2)c2c1OCC=C2.
What is the InChIKey of 5-(2-morpholin-4-ylethoxy)-2H-chromen-8-amine?
The InChIKey is UJJJSDCQAWSWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-13-3-4-14(12-2-1-8-20-15(12)13)19-11-7-17-5-9-18-10-6-17/h1-4H,5-11,16H2.
What are the key properties of 5-(2-morpholin-4-ylethoxy)-2H-chromen-8-amine?
5-(2-morpholin-4-ylethoxy)-2H-chromen-8-amine has a molecular weight of 276.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-ylethoxy)-2H-chromen-8-amine is sourced from PubChem (CID 44596930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).