About N-[[2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline
N-[[2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline (PubChem CID 169383008) has the molecular formula C19H23N3O2
and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[[2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline.
Molecular Properties
| Compound Name | N-[[2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline |
| PubChem CID | 169383008 |
| Molecular Formula | C19H23N3O2 |
| Molecular Weight | 325.41 g/mol |
| Exact Mass | 325.18 |
| IUPAC Name | N-[[2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline |
| SMILES | C(=NNc1ccccc1)c1ccccc1OCCN1CCOCC1 |
| InChI | InChI=1S/C19H23N3O2/c1-2-7-18(8-3-1)21-20-16-17-6-4-5-9-19(17)24-15-12-22-10-13-23-14-11-22/h1-9,16,21H,10-15H2 |
| InChIKey | KWVKPCGVUIXKMR-UHFFFAOYSA-N |
| XLogP | 2.84 |
| TPSA | 46.09 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 24 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 325.41 |
| LogP ≤ 5 | 2.84 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[[2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline (CID 169383008) is N-[[2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline is C(=NNc1ccccc1)c1ccccc1OCCN1CCOCC1.
What is the InChIKey of N-[[2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline?
The InChIKey is KWVKPCGVUIXKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-7-18(8-3-1)21-20-16-17-6-4-5-9-19(17)24-15-12-22-10-13-23-14-11-22/h1-9,16,21H,10-15H2.
What are the key properties of N-[[2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline?
N-[[2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline has a molecular weight of 325.41 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline is sourced from PubChem (CID 169383008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).