About 4-chloro-N-(4-methoxyphenyl)furan-2-amine
4-chloro-N-(4-methoxyphenyl)furan-2-amine (PubChem CID 141495769) has the molecular formula C11H10ClNO2
and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-chloro-N-(4-methoxyphenyl)furan-2-amine.
Molecular Properties
| Compound Name | 4-chloro-N-(4-methoxyphenyl)furan-2-amine |
| PubChem CID | 141495769 |
| Molecular Formula | C11H10ClNO2 |
| Molecular Weight | 223.66 g/mol |
| Exact Mass | 223.04 |
| IUPAC Name | 4-chloro-N-(4-methoxyphenyl)furan-2-amine |
| SMILES | COc1ccc(Nc2cc(Cl)co2)cc1 |
| InChI | InChI=1S/C11H10ClNO2/c1-14-10-4-2-9(3-5-10)13-11-6-8(12)7-15-11/h2-7,13H,1H3 |
| InChIKey | PVAWDSDTOFMKBY-UHFFFAOYSA-N |
| XLogP | 3.69 |
| TPSA | 34.40 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 223.66 |
| LogP ≤ 5 | 3.69 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 4-chloro-N-(4-methoxyphenyl)furan-2-amine?
The IUPAC name of 4-chloro-N-(4-methoxyphenyl)furan-2-amine (CID 141495769) is 4-chloro-N-(4-methoxyphenyl)furan-2-amine.
What is the SMILES notation for 4-chloro-N-(4-methoxyphenyl)furan-2-amine?
The canonical SMILES for 4-chloro-N-(4-methoxyphenyl)furan-2-amine is COc1ccc(Nc2cc(Cl)co2)cc1.
What is the InChIKey of 4-chloro-N-(4-methoxyphenyl)furan-2-amine?
The InChIKey is PVAWDSDTOFMKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-14-10-4-2-9(3-5-10)13-11-6-8(12)7-15-11/h2-7,13H,1H3.
What are the key properties of 4-chloro-N-(4-methoxyphenyl)furan-2-amine?
4-chloro-N-(4-methoxyphenyl)furan-2-amine has a molecular weight of 223.66 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methoxyphenyl)furan-2-amine is sourced from PubChem (CID 141495769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).