About 1-[2-(3-methylphenyl)phenyl]ethanamine
1-[2-(3-methylphenyl)phenyl]ethanamine (PubChem CID 61033604) has the molecular formula C15H17N
and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)phenyl]ethanamine.
Molecular Properties
| Compound Name | 1-[2-(3-methylphenyl)phenyl]ethanamine |
| PubChem CID | 61033604 |
| Molecular Formula | C15H17N |
| Molecular Weight | 211.31 g/mol |
| Exact Mass | 211.14 |
| IUPAC Name | 1-[2-(3-methylphenyl)phenyl]ethanamine |
| SMILES | Cc1cccc(-c2ccccc2C(C)N)c1 |
| InChI | InChI=1S/C15H17N/c1-11-6-5-7-13(10-11)15-9-4-3-8-14(15)12(2)16/h3-10,12H,16H2,1-2H3 |
| InChIKey | MJQJKNILGXSNFO-UHFFFAOYSA-N |
| XLogP | 3.68 |
| TPSA | 26.02 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 211.31 |
| LogP ≤ 5 | 3.68 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 1-[2-(3-methylphenyl)phenyl]ethanamine?
The IUPAC name of 1-[2-(3-methylphenyl)phenyl]ethanamine (CID 61033604) is 1-[2-(3-methylphenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(3-methylphenyl)phenyl]ethanamine?
The canonical SMILES for 1-[2-(3-methylphenyl)phenyl]ethanamine is Cc1cccc(-c2ccccc2C(C)N)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)phenyl]ethanamine?
The InChIKey is MJQJKNILGXSNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-11-6-5-7-13(10-11)15-9-4-3-8-14(15)12(2)16/h3-10,12H,16H2,1-2H3.
What are the key properties of 1-[2-(3-methylphenyl)phenyl]ethanamine?
1-[2-(3-methylphenyl)phenyl]ethanamine has a molecular weight of 211.31 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)phenyl]ethanamine is sourced from PubChem (CID 61033604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).