About [6-(diethylamino)-3-pyridinyl]-phenylmethanol
[6-(diethylamino)-3-pyridinyl]-phenylmethanol (PubChem CID 102546636) has the molecular formula C16H20N2O
and a molecular weight of 256.35 g/mol. Its IUPAC name is [6-(diethylamino)-3-pyridinyl]-phenylmethanol.
Molecular Properties
| Compound Name | [6-(diethylamino)-3-pyridinyl]-phenylmethanol |
| PubChem CID | 102546636 |
| Molecular Formula | C16H20N2O |
| Molecular Weight | 256.35 g/mol |
| Exact Mass | 256.16 |
| IUPAC Name | [6-(diethylamino)-3-pyridinyl]-phenylmethanol |
| SMILES | CCN(CC)c1ccc(C(O)c2ccccc2)cn1 |
| InChI | InChI=1S/C16H20N2O/c1-3-18(4-2)15-11-10-14(12-17-15)16(19)13-8-6-5-7-9-13/h5-12,16,19H,3-4H2,1-2H3 |
| InChIKey | PTEISPUPYZXADY-UHFFFAOYSA-N |
| XLogP | 3.01 |
| TPSA | 36.36 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 256.35 |
| LogP ≤ 5 | 3.01 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of [6-(diethylamino)-3-pyridinyl]-phenylmethanol?
The IUPAC name of [6-(diethylamino)-3-pyridinyl]-phenylmethanol (CID 102546636) is [6-(diethylamino)-3-pyridinyl]-phenylmethanol.
What is the SMILES notation for [6-(diethylamino)-3-pyridinyl]-phenylmethanol?
The canonical SMILES for [6-(diethylamino)-3-pyridinyl]-phenylmethanol is CCN(CC)c1ccc(C(O)c2ccccc2)cn1.
What is the InChIKey of [6-(diethylamino)-3-pyridinyl]-phenylmethanol?
The InChIKey is PTEISPUPYZXADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-18(4-2)15-11-10-14(12-17-15)16(19)13-8-6-5-7-9-13/h5-12,16,19H,3-4H2,1-2H3.
What are the key properties of [6-(diethylamino)-3-pyridinyl]-phenylmethanol?
[6-(diethylamino)-3-pyridinyl]-phenylmethanol has a molecular weight of 256.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diethylamino)-3-pyridinyl]-phenylmethanol is sourced from PubChem (CID 102546636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).