About 1-(2-aminophenyl)naphthalen-2-amine
1-(2-aminophenyl)naphthalen-2-amine (PubChem CID 11424829) has the molecular formula C16H14N2
and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2-aminophenyl)naphthalen-2-amine.
Molecular Properties
| Compound Name | 1-(2-aminophenyl)naphthalen-2-amine |
| PubChem CID | 11424829 |
| Molecular Formula | C16H14N2 |
| Molecular Weight | 234.30 g/mol |
| Exact Mass | 234.12 |
| IUPAC Name | 1-(2-aminophenyl)naphthalen-2-amine |
| SMILES | Nc1ccccc1-c1c(N)ccc2ccccc12 |
| InChI | InChI=1S/C16H14N2/c17-14-8-4-3-7-13(14)16-12-6-2-1-5-11(12)9-10-15(16)18/h1-10H,17-18H2 |
| InChIKey | XVGSKMMZIDFVRY-UHFFFAOYSA-N |
| XLogP | 3.67 |
| TPSA | 52.04 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 234.30 |
| LogP ≤ 5 | 3.67 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-(2-aminophenyl)naphthalen-2-amine?
The IUPAC name of 1-(2-aminophenyl)naphthalen-2-amine (CID 11424829) is 1-(2-aminophenyl)naphthalen-2-amine.
What is the SMILES notation for 1-(2-aminophenyl)naphthalen-2-amine?
The canonical SMILES for 1-(2-aminophenyl)naphthalen-2-amine is Nc1ccccc1-c1c(N)ccc2ccccc12.
What is the InChIKey of 1-(2-aminophenyl)naphthalen-2-amine?
The InChIKey is XVGSKMMZIDFVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c17-14-8-4-3-7-13(14)16-12-6-2-1-5-11(12)9-10-15(16)18/h1-10H,17-18H2.
What are the key properties of 1-(2-aminophenyl)naphthalen-2-amine?
1-(2-aminophenyl)naphthalen-2-amine has a molecular weight of 234.30 g/mol, XLogP of 3.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)naphthalen-2-amine is sourced from PubChem (CID 11424829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).