About 1-[4-(methylamino)phenyl]propan-2-ol
1-[4-(methylamino)phenyl]propan-2-ol (PubChem CID 142796723) has the molecular formula C10H15NO
and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[4-(methylamino)phenyl]propan-2-ol.
Molecular Properties
| Compound Name | 1-[4-(methylamino)phenyl]propan-2-ol |
| PubChem CID | 142796723 |
| Molecular Formula | C10H15NO |
| Molecular Weight | 165.24 g/mol |
| Exact Mass | 165.12 |
| IUPAC Name | 1-[4-(methylamino)phenyl]propan-2-ol |
| SMILES | CNc1ccc(CC(C)O)cc1 |
| InChI | InChI=1S/C10H15NO/c1-8(12)7-9-3-5-10(11-2)6-4-9/h3-6,8,11-12H,7H2,1-2H3 |
| InChIKey | GDELGOLMGVWWMH-UHFFFAOYSA-N |
| XLogP | 1.65 |
| TPSA | 32.26 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 165.24 |
| LogP ≤ 5 | 1.65 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 1-[4-(methylamino)phenyl]propan-2-ol?
The IUPAC name of 1-[4-(methylamino)phenyl]propan-2-ol (CID 142796723) is 1-[4-(methylamino)phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-(methylamino)phenyl]propan-2-ol?
The canonical SMILES for 1-[4-(methylamino)phenyl]propan-2-ol is CNc1ccc(CC(C)O)cc1.
What is the InChIKey of 1-[4-(methylamino)phenyl]propan-2-ol?
The InChIKey is GDELGOLMGVWWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(12)7-9-3-5-10(11-2)6-4-9/h3-6,8,11-12H,7H2,1-2H3.
What are the key properties of 1-[4-(methylamino)phenyl]propan-2-ol?
1-[4-(methylamino)phenyl]propan-2-ol has a molecular weight of 165.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)phenyl]propan-2-ol is sourced from PubChem (CID 142796723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).