About [1-(1-benzofuran-3-yl)cyclopentyl]methanamine
[1-(1-benzofuran-3-yl)cyclopentyl]methanamine (PubChem CID 82613639) has the molecular formula C14H17NO
and a molecular weight of 215.30 g/mol. Its IUPAC name is [1-(1-benzofuran-3-yl)cyclopentyl]methanamine.
Molecular Properties
| Compound Name | [1-(1-benzofuran-3-yl)cyclopentyl]methanamine |
| PubChem CID | 82613639 |
| Molecular Formula | C14H17NO |
| Molecular Weight | 215.30 g/mol |
| Exact Mass | 215.13 |
| IUPAC Name | [1-(1-benzofuran-3-yl)cyclopentyl]methanamine |
| SMILES | NCC1(c2coc3ccccc23)CCCC1 |
| InChI | InChI=1S/C14H17NO/c15-10-14(7-3-4-8-14)12-9-16-13-6-2-1-5-11(12)13/h1-2,5-6,9H,3-4,7-8,10,15H2 |
| InChIKey | MYJVDEYBPOMMMU-UHFFFAOYSA-N |
| XLogP | 3.20 |
| TPSA | 39.16 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 215.30 |
| LogP ≤ 5 | 3.20 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of [1-(1-benzofuran-3-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(1-benzofuran-3-yl)cyclopentyl]methanamine (CID 82613639) is [1-(1-benzofuran-3-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(1-benzofuran-3-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(1-benzofuran-3-yl)cyclopentyl]methanamine is NCC1(c2coc3ccccc23)CCCC1.
What is the InChIKey of [1-(1-benzofuran-3-yl)cyclopentyl]methanamine?
The InChIKey is MYJVDEYBPOMMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c15-10-14(7-3-4-8-14)12-9-16-13-6-2-1-5-11(12)13/h1-2,5-6,9H,3-4,7-8,10,15H2.
What are the key properties of [1-(1-benzofuran-3-yl)cyclopentyl]methanamine?
[1-(1-benzofuran-3-yl)cyclopentyl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzofuran-3-yl)cyclopentyl]methanamine is sourced from PubChem (CID 82613639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).