About 6-(2-aminoethyl)-1-benzofuran-5-ol
6-(2-aminoethyl)-1-benzofuran-5-ol (PubChem CID 83874684) has the molecular formula C10H11NO2
and a molecular weight of 177.20 g/mol. Its IUPAC name is 6-(2-aminoethyl)-1-benzofuran-5-ol.
Molecular Properties
| Compound Name | 6-(2-aminoethyl)-1-benzofuran-5-ol |
| PubChem CID | 83874684 |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.20 g/mol |
| Exact Mass | 177.08 |
| IUPAC Name | 6-(2-aminoethyl)-1-benzofuran-5-ol |
| SMILES | NCCc1cc2occc2cc1O |
| InChI | InChI=1S/C10H11NO2/c11-3-1-7-6-10-8(2-4-13-10)5-9(7)12/h2,4-6,12H,1,3,11H2 |
| InChIKey | NUFHZHSFFQQCNQ-UHFFFAOYSA-N |
| XLogP | 1.64 |
| TPSA | 59.39 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 177.20 |
| LogP ≤ 5 | 1.64 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 6-(2-aminoethyl)-1-benzofuran-5-ol?
The IUPAC name of 6-(2-aminoethyl)-1-benzofuran-5-ol (CID 83874684) is 6-(2-aminoethyl)-1-benzofuran-5-ol.
What is the SMILES notation for 6-(2-aminoethyl)-1-benzofuran-5-ol?
The canonical SMILES for 6-(2-aminoethyl)-1-benzofuran-5-ol is NCCc1cc2occc2cc1O.
What is the InChIKey of 6-(2-aminoethyl)-1-benzofuran-5-ol?
The InChIKey is NUFHZHSFFQQCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c11-3-1-7-6-10-8(2-4-13-10)5-9(7)12/h2,4-6,12H,1,3,11H2.
What are the key properties of 6-(2-aminoethyl)-1-benzofuran-5-ol?
6-(2-aminoethyl)-1-benzofuran-5-ol has a molecular weight of 177.20 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-1-benzofuran-5-ol is sourced from PubChem (CID 83874684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).