2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]ethanol

C20H16ClF3N2O — CID 90112745

IUPAC2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2cc(-c3cccc(Cl)c3)nc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H16ClF3N2O/c21-15-3-1-2-14(10-15)18-11-17(12-19(26-18)20(22,23)24)25-16-6-4-13(5-7-16)8-9-27/h1-7,10-12,27H,8-9H2,(H,25,26)
InChIKeyIYUYJXUWOSRBTQ-UHFFFAOYSA-N
MW392.81 g/mol
LogP5.70
Rot. Bonds5

About 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]ethanol

2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]ethanol (PubChem CID 90112745) has the molecular formula C20H16ClF3N2O and a molecular weight of 392.81 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]ethanol
PubChem CID90112745
Molecular FormulaC20H16ClF3N2O
Molecular Weight392.81 g/mol
Exact Mass392.09
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2cc(-c3cccc(Cl)c3)nc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H16ClF3N2O/c21-15-3-1-2-14(10-15)18-11-17(12-19(26-18)20(22,23)24)25-16-6-4-13(5-7-16)8-9-27/h1-7,10-12,27H,8-9H2,(H,25,26)
InChIKeyIYUYJXUWOSRBTQ-UHFFFAOYSA-N
XLogP5.70
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.81
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]ethanol with MolForge

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Related Compounds

2-[4-[[2-(3-Chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetic acid
CID 74220843
2-[4-[[2-(3-Chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol
CID 74220907
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)amino)phenyl)ethanol
CID 90110094
2-[3-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol
CID 90338537
3-(4-((2-(3-Chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl)amino)phenyl)propan-1-ol
CID 90109450
2-(4-((2-(3-Chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl)amino)phenyl)acetamide
CID 90112434
2-(4-((2-(3-Chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)ethanol
CID 90112835
US11401286, Example 113
CID 90338470
2-(4-((2-(3-Chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl)methyl)phenyl)ethanol
CID 90338480
3-(4-((2-(3-Chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino)phenyl)-1,1,1-trifluoropropan-2-ol
CID 90109898
US11401286, Example 153
CID 90110517
US11401286, Example 110
CID 118037062

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]ethanol?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]ethanol (CID 90112745) is 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]ethanol is OCCc1ccc(Nc2cc(-c3cccc(Cl)c3)nc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]ethanol?
The InChIKey is IYUYJXUWOSRBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2O/c21-15-3-1-2-14(10-15)18-11-17(12-19(26-18)20(22,23)24)25-16-6-4-13(5-7-16)8-9-27/h1-7,10-12,27H,8-9H2,(H,25,26).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]ethanol?
2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]ethanol has a molecular weight of 392.81 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]ethanol is sourced from PubChem (CID 90112745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).