About [2-methoxy-6-(methoxymethoxy)phenyl]methanamine
[2-methoxy-6-(methoxymethoxy)phenyl]methanamine (PubChem CID 71420177) has the molecular formula C10H15NO3
and a molecular weight of 197.23 g/mol. Its IUPAC name is [2-methoxy-6-(methoxymethoxy)phenyl]methanamine.
Molecular Properties
| Compound Name | [2-methoxy-6-(methoxymethoxy)phenyl]methanamine |
| PubChem CID | 71420177 |
| Molecular Formula | C10H15NO3 |
| Molecular Weight | 197.23 g/mol |
| Exact Mass | 197.11 |
| IUPAC Name | [2-methoxy-6-(methoxymethoxy)phenyl]methanamine |
| SMILES | COCOc1cccc(OC)c1CN |
| InChI | InChI=1S/C10H15NO3/c1-12-7-14-10-5-3-4-9(13-2)8(10)6-11/h3-5H,6-7,11H2,1-2H3 |
| InChIKey | OUGFOXIHQSKFQZ-UHFFFAOYSA-N |
| XLogP | 1.14 |
| TPSA | 53.71 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 197.23 |
| LogP ≤ 5 | 1.14 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [2-methoxy-6-(methoxymethoxy)phenyl]methanamine?
The IUPAC name of [2-methoxy-6-(methoxymethoxy)phenyl]methanamine (CID 71420177) is [2-methoxy-6-(methoxymethoxy)phenyl]methanamine.
What is the SMILES notation for [2-methoxy-6-(methoxymethoxy)phenyl]methanamine?
The canonical SMILES for [2-methoxy-6-(methoxymethoxy)phenyl]methanamine is COCOc1cccc(OC)c1CN.
What is the InChIKey of [2-methoxy-6-(methoxymethoxy)phenyl]methanamine?
The InChIKey is OUGFOXIHQSKFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-12-7-14-10-5-3-4-9(13-2)8(10)6-11/h3-5H,6-7,11H2,1-2H3.
What are the key properties of [2-methoxy-6-(methoxymethoxy)phenyl]methanamine?
[2-methoxy-6-(methoxymethoxy)phenyl]methanamine has a molecular weight of 197.23 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-6-(methoxymethoxy)phenyl]methanamine is sourced from PubChem (CID 71420177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).