About 1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine (PubChem CID 55027117) has the molecular formula C15H15F2N
and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine.
Molecular Properties
| Compound Name | 1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine |
| PubChem CID | 55027117 |
| Molecular Formula | C15H15F2N |
| Molecular Weight | 247.29 g/mol |
| Exact Mass | 247.12 |
| IUPAC Name | 1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine |
| SMILES | CNC(c1ccc(F)cc1)c1ccc(F)c(C)c1 |
| InChI | InChI=1S/C15H15F2N/c1-10-9-12(5-8-14(10)17)15(18-2)11-3-6-13(16)7-4-11/h3-9,15,18H,1-2H3 |
| InChIKey | LVMZFEZVIGLBLR-UHFFFAOYSA-N |
| XLogP | 3.58 |
| TPSA | 12.03 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 247.29 |
| LogP ≤ 5 | 3.58 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine (CID 55027117) is 1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine is CNC(c1ccc(F)cc1)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine?
The InChIKey is LVMZFEZVIGLBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-10-9-12(5-8-14(10)17)15(18-2)11-3-6-13(16)7-4-11/h3-9,15,18H,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine?
1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine has a molecular weight of 247.29 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 55027117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).