About 2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine
2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine (PubChem CID 16775885) has the molecular formula C16H19NO
and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine.
Molecular Properties
| Compound Name | 2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine |
| PubChem CID | 16775885 |
| Molecular Formula | C16H19NO |
| Molecular Weight | 241.33 g/mol |
| Exact Mass | 241.15 |
| IUPAC Name | 2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine |
| SMILES | Cc1ccccc1COc1ccc(CCN)cc1 |
| InChI | InChI=1S/C16H19NO/c1-13-4-2-3-5-15(13)12-18-16-8-6-14(7-9-16)10-11-17/h2-9H,10-12,17H2,1H3 |
| InChIKey | JGYREKDPDWQPEA-UHFFFAOYSA-N |
| XLogP | 3.08 |
| TPSA | 35.25 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 241.33 |
| LogP ≤ 5 | 3.08 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine (CID 16775885) is 2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine is Cc1ccccc1COc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is JGYREKDPDWQPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13-4-2-3-5-15(13)12-18-16-8-6-14(7-9-16)10-11-17/h2-9H,10-12,17H2,1H3.
What are the key properties of 2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine?
2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 16775885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).