About 2-amino-1-(4-methoxy-2-methyl-3-pyridinyl)ethanol
2-amino-1-(4-methoxy-2-methyl-3-pyridinyl)ethanol (PubChem CID 84658495) has the molecular formula C9H14N2O2
and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-amino-1-(4-methoxy-2-methyl-3-pyridinyl)ethanol.
Molecular Properties
| Compound Name | 2-amino-1-(4-methoxy-2-methyl-3-pyridinyl)ethanol |
| PubChem CID | 84658495 |
| Molecular Formula | C9H14N2O2 |
| Molecular Weight | 182.22 g/mol |
| Exact Mass | 182.11 |
| IUPAC Name | 2-amino-1-(4-methoxy-2-methyl-3-pyridinyl)ethanol |
| SMILES | COc1ccnc(C)c1C(O)CN |
| InChI | InChI=1S/C9H14N2O2/c1-6-9(7(12)5-10)8(13-2)3-4-11-6/h3-4,7,12H,5,10H2,1-2H3 |
| InChIKey | FULNTMJXPOGFMJ-UHFFFAOYSA-N |
| XLogP | 0.39 |
| TPSA | 68.37 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 182.22 |
| LogP ≤ 5 | 0.39 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 2-amino-1-(4-methoxy-2-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-amino-1-(4-methoxy-2-methyl-3-pyridinyl)ethanol (CID 84658495) is 2-amino-1-(4-methoxy-2-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-amino-1-(4-methoxy-2-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-amino-1-(4-methoxy-2-methyl-3-pyridinyl)ethanol is COc1ccnc(C)c1C(O)CN.
What is the InChIKey of 2-amino-1-(4-methoxy-2-methyl-3-pyridinyl)ethanol?
The InChIKey is FULNTMJXPOGFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-9(7(12)5-10)8(13-2)3-4-11-6/h3-4,7,12H,5,10H2,1-2H3.
What are the key properties of 2-amino-1-(4-methoxy-2-methyl-3-pyridinyl)ethanol?
2-amino-1-(4-methoxy-2-methyl-3-pyridinyl)ethanol has a molecular weight of 182.22 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methoxy-2-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 84658495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).