About 2-(ethylamino)-2-[4-(2-methylpropyl)phenyl]propan-1-ol
2-(ethylamino)-2-[4-(2-methylpropyl)phenyl]propan-1-ol (PubChem CID 61050325) has the molecular formula C15H25NO
and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(ethylamino)-2-[4-(2-methylpropyl)phenyl]propan-1-ol.
Molecular Properties
| Compound Name | 2-(ethylamino)-2-[4-(2-methylpropyl)phenyl]propan-1-ol |
| PubChem CID | 61050325 |
| Molecular Formula | C15H25NO |
| Molecular Weight | 235.37 g/mol |
| Exact Mass | 235.19 |
| IUPAC Name | 2-(ethylamino)-2-[4-(2-methylpropyl)phenyl]propan-1-ol |
| SMILES | CCNC(C)(CO)c1ccc(CC(C)C)cc1 |
| InChI | InChI=1S/C15H25NO/c1-5-16-15(4,11-17)14-8-6-13(7-9-14)10-12(2)3/h6-9,12,16-17H,5,10-11H2,1-4H3 |
| InChIKey | CFFZEVNMSDXUPF-UHFFFAOYSA-N |
| XLogP | 2.70 |
| TPSA | 32.26 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 235.37 |
| LogP ≤ 5 | 2.70 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-(ethylamino)-2-[4-(2-methylpropyl)phenyl]propan-1-ol?
The IUPAC name of 2-(ethylamino)-2-[4-(2-methylpropyl)phenyl]propan-1-ol (CID 61050325) is 2-(ethylamino)-2-[4-(2-methylpropyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-[4-(2-methylpropyl)phenyl]propan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-[4-(2-methylpropyl)phenyl]propan-1-ol is CCNC(C)(CO)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-(ethylamino)-2-[4-(2-methylpropyl)phenyl]propan-1-ol?
The InChIKey is CFFZEVNMSDXUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-16-15(4,11-17)14-8-6-13(7-9-14)10-12(2)3/h6-9,12,16-17H,5,10-11H2,1-4H3.
What are the key properties of 2-(ethylamino)-2-[4-(2-methylpropyl)phenyl]propan-1-ol?
2-(ethylamino)-2-[4-(2-methylpropyl)phenyl]propan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-[4-(2-methylpropyl)phenyl]propan-1-ol is sourced from PubChem (CID 61050325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).