About 1-[4-methoxy-3-(2-methoxyphenyl)phenyl]-N-methylmethanamine
1-[4-methoxy-3-(2-methoxyphenyl)phenyl]-N-methylmethanamine (PubChem CID 134134279) has the molecular formula C16H19NO2
and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[4-methoxy-3-(2-methoxyphenyl)phenyl]-N-methylmethanamine.
Molecular Properties
| Compound Name | 1-[4-methoxy-3-(2-methoxyphenyl)phenyl]-N-methylmethanamine |
| PubChem CID | 134134279 |
| Molecular Formula | C16H19NO2 |
| Molecular Weight | 257.33 g/mol |
| Exact Mass | 257.14 |
| IUPAC Name | 1-[4-methoxy-3-(2-methoxyphenyl)phenyl]-N-methylmethanamine |
| SMILES | CNCc1ccc(OC)c(-c2ccccc2OC)c1 |
| InChI | InChI=1S/C16H19NO2/c1-17-11-12-8-9-16(19-3)14(10-12)13-6-4-5-7-15(13)18-2/h4-10,17H,11H2,1-3H3 |
| InChIKey | UMYIJOLZNLJMFH-UHFFFAOYSA-N |
| XLogP | 3.09 |
| TPSA | 30.49 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 257.33 |
| LogP ≤ 5 | 3.09 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 1-[4-methoxy-3-(2-methoxyphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-methoxy-3-(2-methoxyphenyl)phenyl]-N-methylmethanamine (CID 134134279) is 1-[4-methoxy-3-(2-methoxyphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-methoxy-3-(2-methoxyphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-methoxy-3-(2-methoxyphenyl)phenyl]-N-methylmethanamine is CNCc1ccc(OC)c(-c2ccccc2OC)c1.
What is the InChIKey of 1-[4-methoxy-3-(2-methoxyphenyl)phenyl]-N-methylmethanamine?
The InChIKey is UMYIJOLZNLJMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-17-11-12-8-9-16(19-3)14(10-12)13-6-4-5-7-15(13)18-2/h4-10,17H,11H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-(2-methoxyphenyl)phenyl]-N-methylmethanamine?
1-[4-methoxy-3-(2-methoxyphenyl)phenyl]-N-methylmethanamine has a molecular weight of 257.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(2-methoxyphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 134134279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).