About N-[2-(dimethylamino)phenyl]-N-methylformamide
N-[2-(dimethylamino)phenyl]-N-methylformamide (PubChem CID 142965400) has the molecular formula C10H14N2O
and a molecular weight of 178.23 g/mol. Its IUPAC name is N-[2-(dimethylamino)phenyl]-N-methylformamide.
Molecular Properties
| Compound Name | N-[2-(dimethylamino)phenyl]-N-methylformamide |
| PubChem CID | 142965400 |
| Molecular Formula | C10H14N2O |
| Molecular Weight | 178.23 g/mol |
| Exact Mass | 178.11 |
| IUPAC Name | N-[2-(dimethylamino)phenyl]-N-methylformamide |
| SMILES | CN(C)c1ccccc1N(C)C=O |
| InChI | InChI=1S/C10H14N2O/c1-11(2)9-6-4-5-7-10(9)12(3)8-13/h4-8H,1-3H3 |
| InChIKey | UFEKKKVBOHHDJL-UHFFFAOYSA-N |
| XLogP | 1.35 |
| TPSA | 23.55 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 178.23 |
| LogP ≤ 5 | 1.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[2-(dimethylamino)phenyl]-N-methylformamide?
The IUPAC name of N-[2-(dimethylamino)phenyl]-N-methylformamide (CID 142965400) is N-[2-(dimethylamino)phenyl]-N-methylformamide.
What is the SMILES notation for N-[2-(dimethylamino)phenyl]-N-methylformamide?
The canonical SMILES for N-[2-(dimethylamino)phenyl]-N-methylformamide is CN(C)c1ccccc1N(C)C=O.
What is the InChIKey of N-[2-(dimethylamino)phenyl]-N-methylformamide?
The InChIKey is UFEKKKVBOHHDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-11(2)9-6-4-5-7-10(9)12(3)8-13/h4-8H,1-3H3.
What are the key properties of N-[2-(dimethylamino)phenyl]-N-methylformamide?
N-[2-(dimethylamino)phenyl]-N-methylformamide has a molecular weight of 178.23 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)phenyl]-N-methylformamide is sourced from PubChem (CID 142965400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).