About (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine
(1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine (PubChem CID 51693922) has the molecular formula C13H13FN2
and a molecular weight of 216.26 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine.
Molecular Properties
| Compound Name | (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine |
| PubChem CID | 51693922 |
| Molecular Formula | C13H13FN2 |
| Molecular Weight | 216.26 g/mol |
| Exact Mass | 216.11 |
| IUPAC Name | (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine |
| SMILES | CN[C@H](c1ccc(F)cc1)c1cccnc1 |
| InChI | InChI=1S/C13H13FN2/c1-15-13(11-3-2-8-16-9-11)10-4-6-12(14)7-5-10/h2-9,13,15H,1H3/t13-/m1/s1 |
| InChIKey | DABUWFPZDWZBCH-CYBMUJFWSA-N |
| XLogP | 2.53 |
| TPSA | 24.92 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 216.26 |
| LogP ≤ 5 | 2.53 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine?
The IUPAC name of (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine (CID 51693922) is (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine is CN[C@H](c1ccc(F)cc1)c1cccnc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine?
The InChIKey is DABUWFPZDWZBCH-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H13FN2/c1-15-13(11-3-2-8-16-9-11)10-4-6-12(14)7-5-10/h2-9,13,15H,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine?
(1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine has a molecular weight of 216.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 51693922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).