About 2-(4-methoxynaphthalen-1-yl)ethanamine
2-(4-methoxynaphthalen-1-yl)ethanamine (PubChem CID 1251790) has the molecular formula C13H15NO
and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(4-methoxynaphthalen-1-yl)ethanamine.
Molecular Properties
| Compound Name | 2-(4-methoxynaphthalen-1-yl)ethanamine |
| PubChem CID | 1251790 |
| Molecular Formula | C13H15NO |
| Molecular Weight | 201.27 g/mol |
| Exact Mass | 201.12 |
| IUPAC Name | 2-(4-methoxynaphthalen-1-yl)ethanamine |
| SMILES | COc1ccc(CCN)c2ccccc12 |
| InChI | InChI=1S/C13H15NO/c1-15-13-7-6-10(8-9-14)11-4-2-3-5-12(11)13/h2-7H,8-9,14H2,1H3 |
| InChIKey | UNFMMZNTVQPCHB-UHFFFAOYSA-N |
| XLogP | 2.35 |
| TPSA | 35.25 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 201.27 |
| LogP ≤ 5 | 2.35 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-methoxynaphthalen-1-yl)ethanamine?
The IUPAC name of 2-(4-methoxynaphthalen-1-yl)ethanamine (CID 1251790) is 2-(4-methoxynaphthalen-1-yl)ethanamine.
What is the SMILES notation for 2-(4-methoxynaphthalen-1-yl)ethanamine?
The canonical SMILES for 2-(4-methoxynaphthalen-1-yl)ethanamine is COc1ccc(CCN)c2ccccc12.
What is the InChIKey of 2-(4-methoxynaphthalen-1-yl)ethanamine?
The InChIKey is UNFMMZNTVQPCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-15-13-7-6-10(8-9-14)11-4-2-3-5-12(11)13/h2-7H,8-9,14H2,1H3.
What are the key properties of 2-(4-methoxynaphthalen-1-yl)ethanamine?
2-(4-methoxynaphthalen-1-yl)ethanamine has a molecular weight of 201.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxynaphthalen-1-yl)ethanamine is sourced from PubChem (CID 1251790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).