About 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine (PubChem CID 152682360) has the molecular formula C23H41NO8
and a molecular weight of 459.58 g/mol. Its IUPAC name is 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine.
Molecular Properties
| Compound Name | 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine |
| PubChem CID | 152682360 |
| Molecular Formula | C23H41NO8 |
| Molecular Weight | 459.58 g/mol |
| Exact Mass | 459.28 |
| IUPAC Name | 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine |
| SMILES | COCCOCCOCCOCCOCCOCCOCCOc1ccc(CCN)cc1 |
| InChI | InChI=1S/C23H41NO8/c1-25-8-9-26-10-11-27-12-13-28-14-15-29-16-17-30-18-19-31-20-21-32-23-4-2-22(3-5-23)6-7-24/h2-5H,6-21,24H2,1H3 |
| InChIKey | ZNUYAJLFIKHAOA-UHFFFAOYSA-N |
| XLogP | 1.31 |
| TPSA | 99.86 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 32 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 459.58 |
| LogP ≤ 5 | 1.31 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
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 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine (CID 152682360) is 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine is COCCOCCOCCOCCOCCOCCOCCOc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine?
The InChIKey is ZNUYAJLFIKHAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO8/c1-25-8-9-26-10-11-27-12-13-28-14-15-29-16-17-30-18-19-31-20-21-32-23-4-2-22(3-5-23)6-7-24/h2-5H,6-21,24H2,1H3.
What are the key properties of 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine?
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine has a molecular weight of 459.58 g/mol, XLogP of 1.31, 24 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine is sourced from PubChem (CID 152682360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).