1-(2,6-diphenyl-4-pyridinyl)-2-(ethylamino)ethanol;hydrochloride

C21H23ClN2O — CID 90669366

IUPAC1-(2,6-diphenyl-4-pyridinyl)-2-(ethylamino)ethanol;hydrochloride
SMILESCCNCC(O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1.Cl
InChIInChI=1S/C21H22N2O.ClH/c1-2-22-15-21(24)18-13-19(16-9-5-3-6-10-16)23-20(14-18)17-11-7-4-8-12-17;/h3-14,21-22,24H,2,15H2,1H3;1H
InChIKeyCAAANOUNXNNFGL-UHFFFAOYSA-N
MW354.88 g/mol
LogP4.48
Rot. Bonds6

About 1-(2,6-diphenyl-4-pyridinyl)-2-(ethylamino)ethanol;hydrochloride

1-(2,6-diphenyl-4-pyridinyl)-2-(ethylamino)ethanol;hydrochloride (PubChem CID 90669366) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is 1-(2,6-diphenyl-4-pyridinyl)-2-(ethylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(2,6-diphenyl-4-pyridinyl)-2-(ethylamino)ethanol;hydrochloride
PubChem CID90669366
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC Name1-(2,6-diphenyl-4-pyridinyl)-2-(ethylamino)ethanol;hydrochloride
SMILESCCNCC(O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1.Cl
InChIInChI=1S/C21H22N2O.ClH/c1-2-22-15-21(24)18-13-19(16-9-5-3-6-10-16)23-20(14-18)17-11-7-4-8-12-17;/h3-14,21-22,24H,2,15H2,1H3;1H
InChIKeyCAAANOUNXNNFGL-UHFFFAOYSA-N
XLogP4.48
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diphenyl-4-pyridinyl)-2-(ethylamino)ethanol;hydrochloride?
The IUPAC name of 1-(2,6-diphenyl-4-pyridinyl)-2-(ethylamino)ethanol;hydrochloride (CID 90669366) is 1-(2,6-diphenyl-4-pyridinyl)-2-(ethylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-(2,6-diphenyl-4-pyridinyl)-2-(ethylamino)ethanol;hydrochloride?
The canonical SMILES for 1-(2,6-diphenyl-4-pyridinyl)-2-(ethylamino)ethanol;hydrochloride is CCNCC(O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1.Cl.
What is the InChIKey of 1-(2,6-diphenyl-4-pyridinyl)-2-(ethylamino)ethanol;hydrochloride?
The InChIKey is CAAANOUNXNNFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O.ClH/c1-2-22-15-21(24)18-13-19(16-9-5-3-6-10-16)23-20(14-18)17-11-7-4-8-12-17;/h3-14,21-22,24H,2,15H2,1H3;1H.
What are the key properties of 1-(2,6-diphenyl-4-pyridinyl)-2-(ethylamino)ethanol;hydrochloride?
1-(2,6-diphenyl-4-pyridinyl)-2-(ethylamino)ethanol;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diphenyl-4-pyridinyl)-2-(ethylamino)ethanol;hydrochloride is sourced from PubChem (CID 90669366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).