About 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine (PubChem CID 106691917) has the molecular formula C16H14ClNO
and a molecular weight of 271.75 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine.
Molecular Properties
| Compound Name | 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine |
| PubChem CID | 106691917 |
| Molecular Formula | C16H14ClNO |
| Molecular Weight | 271.75 g/mol |
| Exact Mass | 271.08 |
| IUPAC Name | 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine |
| SMILES | CNC(c1ccc2ccccc2c1)c1ccc(Cl)o1 |
| InChI | InChI=1S/C16H14ClNO/c1-18-16(14-8-9-15(17)19-14)13-7-6-11-4-2-3-5-12(11)10-13/h2-10,16,18H,1H3 |
| InChIKey | BBUVRRUJDWRXHN-UHFFFAOYSA-N |
| XLogP | 4.39 |
| TPSA | 25.17 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 271.75 |
| LogP ≤ 5 | 4.39 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine (CID 106691917) is 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine is CNC(c1ccc2ccccc2c1)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine?
The InChIKey is BBUVRRUJDWRXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-18-16(14-8-9-15(17)19-14)13-7-6-11-4-2-3-5-12(11)10-13/h2-10,16,18H,1H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine?
1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine has a molecular weight of 271.75 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine is sourced from PubChem (CID 106691917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).