About 3-[1-(ethylamino)cyclohexyl]phenol
3-[1-(ethylamino)cyclohexyl]phenol (PubChem CID 137332171) has the molecular formula C14H21NO
and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[1-(ethylamino)cyclohexyl]phenol.
Molecular Properties
| Compound Name | 3-[1-(ethylamino)cyclohexyl]phenol |
| PubChem CID | 137332171 |
| Molecular Formula | C14H21NO |
| Molecular Weight | 219.33 g/mol |
| Exact Mass | 219.16 |
| IUPAC Name | 3-[1-(ethylamino)cyclohexyl]phenol |
| SMILES | CCNC1(c2cccc(O)c2)CCCCC1 |
| InChI | InChI=1S/C14H21NO/c1-2-15-14(9-4-3-5-10-14)12-7-6-8-13(16)11-12/h6-8,11,15-16H,2-5,9-10H2,1H3 |
| InChIKey | MIKNPNLBFHVMKK-UHFFFAOYSA-N |
| XLogP | 3.16 |
| TPSA | 32.26 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 219.33 |
| LogP ≤ 5 | 3.16 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 3-[1-(ethylamino)cyclohexyl]phenol?
The IUPAC name of 3-[1-(ethylamino)cyclohexyl]phenol (CID 137332171) is 3-[1-(ethylamino)cyclohexyl]phenol.
What is the SMILES notation for 3-[1-(ethylamino)cyclohexyl]phenol?
The canonical SMILES for 3-[1-(ethylamino)cyclohexyl]phenol is CCNC1(c2cccc(O)c2)CCCCC1.
What is the InChIKey of 3-[1-(ethylamino)cyclohexyl]phenol?
The InChIKey is MIKNPNLBFHVMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-15-14(9-4-3-5-10-14)12-7-6-8-13(16)11-12/h6-8,11,15-16H,2-5,9-10H2,1H3.
What are the key properties of 3-[1-(ethylamino)cyclohexyl]phenol?
3-[1-(ethylamino)cyclohexyl]phenol has a molecular weight of 219.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)cyclohexyl]phenol is sourced from PubChem (CID 137332171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).