About [4-(2-aminoethyl)phenyl]-phenylmethanone
[4-(2-aminoethyl)phenyl]-phenylmethanone (PubChem CID 14368635) has the molecular formula C15H15NO
and a molecular weight of 225.29 g/mol. Its IUPAC name is [4-(2-aminoethyl)phenyl]-phenylmethanone.
Molecular Properties
| Compound Name | [4-(2-aminoethyl)phenyl]-phenylmethanone |
| PubChem CID | 14368635 |
| Molecular Formula | C15H15NO |
| Molecular Weight | 225.29 g/mol |
| Exact Mass | 225.12 |
| IUPAC Name | [4-(2-aminoethyl)phenyl]-phenylmethanone |
| SMILES | NCCc1ccc(C(=O)c2ccccc2)cc1 |
| InChI | InChI=1S/C15H15NO/c16-11-10-12-6-8-14(9-7-12)15(17)13-4-2-1-3-5-13/h1-9H,10-11,16H2 |
| InChIKey | NZYXLOZUPDISMU-UHFFFAOYSA-N |
| XLogP | 2.42 |
| TPSA | 43.09 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 225.29 |
| LogP ≤ 5 | 2.42 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of [4-(2-aminoethyl)phenyl]-phenylmethanone?
The IUPAC name of [4-(2-aminoethyl)phenyl]-phenylmethanone (CID 14368635) is [4-(2-aminoethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(2-aminoethyl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(2-aminoethyl)phenyl]-phenylmethanone is NCCc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(2-aminoethyl)phenyl]-phenylmethanone?
The InChIKey is NZYXLOZUPDISMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c16-11-10-12-6-8-14(9-7-12)15(17)13-4-2-1-3-5-13/h1-9H,10-11,16H2.
What are the key properties of [4-(2-aminoethyl)phenyl]-phenylmethanone?
[4-(2-aminoethyl)phenyl]-phenylmethanone has a molecular weight of 225.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 14368635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).