About (2-amino-5-methylphenyl)-phenylmethanol
(2-amino-5-methylphenyl)-phenylmethanol (PubChem CID 2861941) has the molecular formula C14H15NO
and a molecular weight of 213.28 g/mol. Its IUPAC name is (2-amino-5-methylphenyl)-phenylmethanol.
Molecular Properties
| Compound Name | (2-amino-5-methylphenyl)-phenylmethanol |
| PubChem CID | 2861941 |
| Molecular Formula | C14H15NO |
| Molecular Weight | 213.28 g/mol |
| Exact Mass | 213.12 |
| IUPAC Name | (2-amino-5-methylphenyl)-phenylmethanol |
| SMILES | Cc1ccc(N)c(C(O)c2ccccc2)c1 |
| InChI | InChI=1S/C14H15NO/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11/h2-9,14,16H,15H2,1H3 |
| InChIKey | RFGHBTFPMINONZ-UHFFFAOYSA-N |
| XLogP | 2.66 |
| TPSA | 46.25 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 213.28 |
| LogP ≤ 5 | 2.66 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of (2-amino-5-methylphenyl)-phenylmethanol?
The IUPAC name of (2-amino-5-methylphenyl)-phenylmethanol (CID 2861941) is (2-amino-5-methylphenyl)-phenylmethanol.
What is the SMILES notation for (2-amino-5-methylphenyl)-phenylmethanol?
The canonical SMILES for (2-amino-5-methylphenyl)-phenylmethanol is Cc1ccc(N)c(C(O)c2ccccc2)c1.
What is the InChIKey of (2-amino-5-methylphenyl)-phenylmethanol?
The InChIKey is RFGHBTFPMINONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11/h2-9,14,16H,15H2,1H3.
What are the key properties of (2-amino-5-methylphenyl)-phenylmethanol?
(2-amino-5-methylphenyl)-phenylmethanol has a molecular weight of 213.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylphenyl)-phenylmethanol is sourced from PubChem (CID 2861941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).