About N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-morpholin-3-ylethanamine
N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-morpholin-3-ylethanamine (PubChem CID 115239045) has the molecular formula C15H23FN2O
and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-morpholin-3-ylethanamine.
Molecular Properties
| Compound Name | N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-morpholin-3-ylethanamine |
| PubChem CID | 115239045 |
| Molecular Formula | C15H23FN2O |
| Molecular Weight | 266.36 g/mol |
| Exact Mass | 266.18 |
| IUPAC Name | N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-morpholin-3-ylethanamine |
| SMILES | CN(CCc1ccccc1F)CCC1COCCN1 |
| InChI | InChI=1S/C15H23FN2O/c1-18(10-7-14-12-19-11-8-17-14)9-6-13-4-2-3-5-15(13)16/h2-5,14,17H,6-12H2,1H3 |
| InChIKey | XALACEBYDAVGJI-UHFFFAOYSA-N |
| XLogP | 1.68 |
| TPSA | 24.50 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 266.36 |
| LogP ≤ 5 | 1.68 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-morpholin-3-ylethanamine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-morpholin-3-ylethanamine (CID 115239045) is N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-morpholin-3-ylethanamine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-morpholin-3-ylethanamine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-morpholin-3-ylethanamine is CN(CCc1ccccc1F)CCC1COCCN1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-morpholin-3-ylethanamine?
The InChIKey is XALACEBYDAVGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-18(10-7-14-12-19-11-8-17-14)9-6-13-4-2-3-5-15(13)16/h2-5,14,17H,6-12H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-morpholin-3-ylethanamine?
N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-morpholin-3-ylethanamine has a molecular weight of 266.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-morpholin-3-ylethanamine is sourced from PubChem (CID 115239045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).