About N-[(4-phenylphenyl)methyl]aniline
N-[(4-phenylphenyl)methyl]aniline (PubChem CID 10658964) has the molecular formula C19H17N
and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(4-phenylphenyl)methyl]aniline.
Molecular Properties
| Compound Name | N-[(4-phenylphenyl)methyl]aniline |
| PubChem CID | 10658964 |
| Molecular Formula | C19H17N |
| Molecular Weight | 259.35 g/mol |
| Exact Mass | 259.14 |
| IUPAC Name | N-[(4-phenylphenyl)methyl]aniline |
| SMILES | c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 |
| InChI | InChI=1S/C19H17N/c1-3-7-17(8-4-1)18-13-11-16(12-14-18)15-20-19-9-5-2-6-10-19/h1-14,20H,15H2 |
| InChIKey | YQSZQWUIIYGORS-UHFFFAOYSA-N |
| XLogP | 4.97 |
| 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 | 259.35 |
| LogP ≤ 5 | 4.97 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of N-[(4-phenylphenyl)methyl]aniline?
The IUPAC name of N-[(4-phenylphenyl)methyl]aniline (CID 10658964) is N-[(4-phenylphenyl)methyl]aniline.
What is the SMILES notation for N-[(4-phenylphenyl)methyl]aniline?
The canonical SMILES for N-[(4-phenylphenyl)methyl]aniline is c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[(4-phenylphenyl)methyl]aniline?
The InChIKey is YQSZQWUIIYGORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N/c1-3-7-17(8-4-1)18-13-11-16(12-14-18)15-20-19-9-5-2-6-10-19/h1-14,20H,15H2.
What are the key properties of N-[(4-phenylphenyl)methyl]aniline?
N-[(4-phenylphenyl)methyl]aniline has a molecular weight of 259.35 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylphenyl)methyl]aniline is sourced from PubChem (CID 10658964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).