About furan-3-yl-(4-propylphenyl)methanamine
furan-3-yl-(4-propylphenyl)methanamine (PubChem CID 43464286) has the molecular formula C14H17NO
and a molecular weight of 215.30 g/mol. Its IUPAC name is furan-3-yl-(4-propylphenyl)methanamine.
Molecular Properties
| Compound Name | furan-3-yl-(4-propylphenyl)methanamine |
| PubChem CID | 43464286 |
| Molecular Formula | C14H17NO |
| Molecular Weight | 215.30 g/mol |
| Exact Mass | 215.13 |
| IUPAC Name | furan-3-yl-(4-propylphenyl)methanamine |
| SMILES | CCCc1ccc(C(N)c2ccoc2)cc1 |
| InChI | InChI=1S/C14H17NO/c1-2-3-11-4-6-12(7-5-11)14(15)13-8-9-16-10-13/h4-10,14H,2-3,15H2,1H3 |
| InChIKey | ULLWIYHDBQIMDH-UHFFFAOYSA-N |
| XLogP | 3.28 |
| TPSA | 39.16 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 215.30 |
| LogP ≤ 5 | 3.28 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of furan-3-yl-(4-propylphenyl)methanamine?
The IUPAC name of furan-3-yl-(4-propylphenyl)methanamine (CID 43464286) is furan-3-yl-(4-propylphenyl)methanamine.
What is the SMILES notation for furan-3-yl-(4-propylphenyl)methanamine?
The canonical SMILES for furan-3-yl-(4-propylphenyl)methanamine is CCCc1ccc(C(N)c2ccoc2)cc1.
What is the InChIKey of furan-3-yl-(4-propylphenyl)methanamine?
The InChIKey is ULLWIYHDBQIMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-3-11-4-6-12(7-5-11)14(15)13-8-9-16-10-13/h4-10,14H,2-3,15H2,1H3.
What are the key properties of furan-3-yl-(4-propylphenyl)methanamine?
furan-3-yl-(4-propylphenyl)methanamine has a molecular weight of 215.30 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-(4-propylphenyl)methanamine is sourced from PubChem (CID 43464286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).