About N-(2-methoxyethyl)-1H-indol-5-amine
N-(2-methoxyethyl)-1H-indol-5-amine (PubChem CID 82539811) has the molecular formula C11H14N2O
and a molecular weight of 190.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1H-indol-5-amine.
Molecular Properties
| Compound Name | N-(2-methoxyethyl)-1H-indol-5-amine |
| PubChem CID | 82539811 |
| Molecular Formula | C11H14N2O |
| Molecular Weight | 190.25 g/mol |
| Exact Mass | 190.11 |
| IUPAC Name | N-(2-methoxyethyl)-1H-indol-5-amine |
| SMILES | COCCNc1ccc2[nH]ccc2c1 |
| InChI | InChI=1S/C11H14N2O/c1-14-7-6-12-10-2-3-11-9(8-10)4-5-13-11/h2-5,8,12-13H,6-7H2,1H3 |
| InChIKey | RLOZESMOGSXYPE-UHFFFAOYSA-N |
| XLogP | 2.23 |
| TPSA | 37.05 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 190.25 |
| LogP ≤ 5 | 2.23 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(2-methoxyethyl)-1H-indol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-1H-indol-5-amine (CID 82539811) is N-(2-methoxyethyl)-1H-indol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1H-indol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-1H-indol-5-amine is COCCNc1ccc2[nH]ccc2c1.
What is the InChIKey of N-(2-methoxyethyl)-1H-indol-5-amine?
The InChIKey is RLOZESMOGSXYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-14-7-6-12-10-2-3-11-9(8-10)4-5-13-11/h2-5,8,12-13H,6-7H2,1H3.
What are the key properties of N-(2-methoxyethyl)-1H-indol-5-amine?
N-(2-methoxyethyl)-1H-indol-5-amine has a molecular weight of 190.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1H-indol-5-amine is sourced from PubChem (CID 82539811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).