About 1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine (PubChem CID 54911995) has the molecular formula C15H14F3N
and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine.
Molecular Properties
| Compound Name | 1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine |
| PubChem CID | 54911995 |
| Molecular Formula | C15H14F3N |
| Molecular Weight | 265.28 g/mol |
| Exact Mass | 265.11 |
| IUPAC Name | 1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine |
| SMILES | CC(N)c1ccccc1-c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C15H14F3N/c1-10(19)13-4-2-3-5-14(13)11-6-8-12(9-7-11)15(16,17)18/h2-10H,19H2,1H3 |
| InChIKey | FEUBYBZCQFKLLD-UHFFFAOYSA-N |
| XLogP | 4.39 |
| TPSA | 26.02 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 265.28 |
| LogP ≤ 5 | 4.39 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine?
The IUPAC name of 1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine (CID 54911995) is 1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine.
What is the SMILES notation for 1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine?
The canonical SMILES for 1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine is CC(N)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine?
The InChIKey is FEUBYBZCQFKLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-10(19)13-4-2-3-5-14(13)11-6-8-12(9-7-11)15(16,17)18/h2-10H,19H2,1H3.
What are the key properties of 1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine?
1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine has a molecular weight of 265.28 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine is sourced from PubChem (CID 54911995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).