About N-(fluoren-9-ylideneamino)-4-methylaniline
N-(fluoren-9-ylideneamino)-4-methylaniline (PubChem CID 4130822) has the molecular formula C20H16N2
and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(fluoren-9-ylideneamino)-4-methylaniline.
Molecular Properties
| Compound Name | N-(fluoren-9-ylideneamino)-4-methylaniline |
| PubChem CID | 4130822 |
| Molecular Formula | C20H16N2 |
| Molecular Weight | 284.36 g/mol |
| Exact Mass | 284.13 |
| IUPAC Name | N-(fluoren-9-ylideneamino)-4-methylaniline |
| SMILES | Cc1ccc(NN=C2c3ccccc3-c3ccccc32)cc1 |
| InChI | InChI=1S/C20H16N2/c1-14-10-12-15(13-11-14)21-22-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13,21H,1H3 |
| InChIKey | PNQGCUBIIRWOLO-UHFFFAOYSA-N |
| XLogP | 4.84 |
| TPSA | 24.39 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 284.36 |
| LogP ≤ 5 | 4.84 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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-(fluoren-9-ylideneamino)-4-methylaniline?
The IUPAC name of N-(fluoren-9-ylideneamino)-4-methylaniline (CID 4130822) is N-(fluoren-9-ylideneamino)-4-methylaniline.
What is the SMILES notation for N-(fluoren-9-ylideneamino)-4-methylaniline?
The canonical SMILES for N-(fluoren-9-ylideneamino)-4-methylaniline is Cc1ccc(NN=C2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-(fluoren-9-ylideneamino)-4-methylaniline?
The InChIKey is PNQGCUBIIRWOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-14-10-12-15(13-11-14)21-22-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13,21H,1H3.
What are the key properties of N-(fluoren-9-ylideneamino)-4-methylaniline?
N-(fluoren-9-ylideneamino)-4-methylaniline has a molecular weight of 284.36 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoren-9-ylideneamino)-4-methylaniline is sourced from PubChem (CID 4130822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).