About 1-[4-(cyclopenten-1-yl)phenyl]-N-methyl-1-phenylmethanamine
1-[4-(cyclopenten-1-yl)phenyl]-N-methyl-1-phenylmethanamine (PubChem CID 155571905) has the molecular formula C19H21N
and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[4-(cyclopenten-1-yl)phenyl]-N-methyl-1-phenylmethanamine.
Molecular Properties
| Compound Name | 1-[4-(cyclopenten-1-yl)phenyl]-N-methyl-1-phenylmethanamine |
| PubChem CID | 155571905 |
| Molecular Formula | C19H21N |
| Molecular Weight | 263.38 g/mol |
| Exact Mass | 263.17 |
| IUPAC Name | 1-[4-(cyclopenten-1-yl)phenyl]-N-methyl-1-phenylmethanamine |
| SMILES | CNC(c1ccccc1)c1ccc(C2=CCCC2)cc1 |
| InChI | InChI=1S/C19H21N/c1-20-19(17-9-3-2-4-10-17)18-13-11-16(12-14-18)15-7-5-6-8-15/h2-4,7,9-14,19-20H,5-6,8H2,1H3 |
| InChIKey | XPOKITGWEKVVBH-UHFFFAOYSA-N |
| XLogP | 4.56 |
| TPSA | 12.03 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 263.38 |
| LogP ≤ 5 | 4.56 |
| 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-(cyclopenten-1-yl)phenyl]-N-methyl-1-phenylmethanamine?
The IUPAC name of 1-[4-(cyclopenten-1-yl)phenyl]-N-methyl-1-phenylmethanamine (CID 155571905) is 1-[4-(cyclopenten-1-yl)phenyl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for 1-[4-(cyclopenten-1-yl)phenyl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for 1-[4-(cyclopenten-1-yl)phenyl]-N-methyl-1-phenylmethanamine is CNC(c1ccccc1)c1ccc(C2=CCCC2)cc1.
What is the InChIKey of 1-[4-(cyclopenten-1-yl)phenyl]-N-methyl-1-phenylmethanamine?
The InChIKey is XPOKITGWEKVVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-20-19(17-9-3-2-4-10-17)18-13-11-16(12-14-18)15-7-5-6-8-15/h2-4,7,9-14,19-20H,5-6,8H2,1H3.
What are the key properties of 1-[4-(cyclopenten-1-yl)phenyl]-N-methyl-1-phenylmethanamine?
1-[4-(cyclopenten-1-yl)phenyl]-N-methyl-1-phenylmethanamine has a molecular weight of 263.38 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopenten-1-yl)phenyl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 155571905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).