1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(diethylamino)ethanol

C23H24Cl2N2O — CID 90669333

IUPAC1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(diethylamino)ethanol
SMILESCCN(CC)CC(O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H24Cl2N2O/c1-3-27(4-2)15-23(28)18-13-21(16-5-9-19(24)10-6-16)26-22(14-18)17-7-11-20(25)12-8-17/h5-14,23,28H,3-4,15H2,1-2H3
InChIKeyXCPAQQVJFUBFMM-UHFFFAOYSA-N
MW415.36 g/mol
LogP6.10
Rot. Bonds7

About 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(diethylamino)ethanol

1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(diethylamino)ethanol (PubChem CID 90669333) has the molecular formula C23H24Cl2N2O and a molecular weight of 415.36 g/mol. Its IUPAC name is 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(diethylamino)ethanol.

Molecular Properties

Compound Name1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(diethylamino)ethanol
PubChem CID90669333
Molecular FormulaC23H24Cl2N2O
Molecular Weight415.36 g/mol
Exact Mass414.13
IUPAC Name1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(diethylamino)ethanol
SMILESCCN(CC)CC(O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H24Cl2N2O/c1-3-27(4-2)15-23(28)18-13-21(16-5-9-19(24)10-6-16)26-22(14-18)17-7-11-20(25)12-8-17/h5-14,23,28H,3-4,15H2,1-2H3
InChIKeyXCPAQQVJFUBFMM-UHFFFAOYSA-N
XLogP6.10
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.36
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Vacquinol-1
CID 224644
WR 30090
CID 31755
(4-Chlorophenyl)(pyridin-2-yl)methanol
CID 97719
(7R,9S)-7-((4-(2,6-dichlorophenyl)piperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894426
1-[2-(4-Chlorophenyl)-6,8-dimethylquinolin-4-yl]-2-(dihexylamino)ethanol
CID 4162665
1-[7-Chloro-2-(4-chlorophenyl)-4-quinolinyl]-2-(dibutylamino)ethanol hydrochloride
CID 24185504
2-(Dibutylamino)-1-[6,8-dichloro-2-(4-chlorophenyl)-4-quinolinyl]ethanol hydrochloride
CID 24200355
(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol
CID 3246043
1-[2-(4-Chlorophenyl)-7-methylquinolin-4-yl]-2-(octylamino)ethanol
CID 252648
(7R,9S)-7-((4-(2-chlorophenyl)piperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894428
(4-Chlorophenyl)-isoquinolin-1-ylmethanol;hydrochloride
CID 12221201
(S)-[2-(4-chlorophenyl)quinolin-4-yl](2R)-piperidin-2-ylmethanol
CID 36691042

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(diethylamino)ethanol?
The IUPAC name of 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(diethylamino)ethanol (CID 90669333) is 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(diethylamino)ethanol.
What is the SMILES notation for 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(diethylamino)ethanol?
The canonical SMILES for 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(diethylamino)ethanol is CCN(CC)CC(O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(diethylamino)ethanol?
The InChIKey is XCPAQQVJFUBFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O/c1-3-27(4-2)15-23(28)18-13-21(16-5-9-19(24)10-6-16)26-22(14-18)17-7-11-20(25)12-8-17/h5-14,23,28H,3-4,15H2,1-2H3.
What are the key properties of 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(diethylamino)ethanol?
1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(diethylamino)ethanol has a molecular weight of 415.36 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(diethylamino)ethanol is sourced from PubChem (CID 90669333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).