About 2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine
2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine (PubChem CID 62443341) has the molecular formula C14H19N3
and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine.
Molecular Properties
| Compound Name | 2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine |
| PubChem CID | 62443341 |
| Molecular Formula | C14H19N3 |
| Molecular Weight | 229.33 g/mol |
| Exact Mass | 229.16 |
| IUPAC Name | 2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine |
| SMILES | CCc1nccn1C(CNC)c1ccccc1 |
| InChI | InChI=1S/C14H19N3/c1-3-14-16-9-10-17(14)13(11-15-2)12-7-5-4-6-8-12/h4-10,13,15H,3,11H2,1-2H3 |
| InChIKey | PVYQZWXCFOSACZ-UHFFFAOYSA-N |
| XLogP | 2.25 |
| TPSA | 29.85 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 229.33 |
| LogP ≤ 5 | 2.25 |
| 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-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine (CID 62443341) is 2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine is CCc1nccn1C(CNC)c1ccccc1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine?
The InChIKey is PVYQZWXCFOSACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-14-16-9-10-17(14)13(11-15-2)12-7-5-4-6-8-12/h4-10,13,15H,3,11H2,1-2H3.
What are the key properties of 2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine?
2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 62443341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).