About 4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline
4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline (PubChem CID 10543043) has the molecular formula C20H19NO2
and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline.
Molecular Properties
| Compound Name | 4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline |
| PubChem CID | 10543043 |
| Molecular Formula | C20H19NO2 |
| Molecular Weight | 305.38 g/mol |
| Exact Mass | 305.14 |
| IUPAC Name | 4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline |
| SMILES | COc1ccc(N(c2ccccc2)c2ccc(OC)cc2)cc1 |
| InChI | InChI=1S/C20H19NO2/c1-22-19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)18-10-14-20(23-2)15-11-18/h3-15H,1-2H3 |
| InChIKey | ZJPTYHDCQPDNBH-UHFFFAOYSA-N |
| XLogP | 5.17 |
| TPSA | 21.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 305.38 |
| LogP ≤ 5 | 5.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline?
The IUPAC name of 4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline (CID 10543043) is 4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline.
What is the SMILES notation for 4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline?
The canonical SMILES for 4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline is COc1ccc(N(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline?
The InChIKey is ZJPTYHDCQPDNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-22-19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)18-10-14-20(23-2)15-11-18/h3-15H,1-2H3.
What are the key properties of 4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline?
4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline has a molecular weight of 305.38 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline is sourced from PubChem (CID 10543043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).