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

C22H21ClN2O — CID 90111703

IUPAC2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2cc(-c3cccc(Cl)c3)nc(C3CC3)c2)cc1
InChIInChI=1S/C22H21ClN2O/c23-18-3-1-2-17(12-18)22-14-20(13-21(25-22)16-6-7-16)24-19-8-4-15(5-9-19)10-11-26/h1-5,8-9,12-14,16,26H,6-7,10-11H2,(H,24,25)
InChIKeyGKYGVYSGYWZSKK-UHFFFAOYSA-N
MW364.88 g/mol
LogP5.56
Rot. Bonds6

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

2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]ethanol (PubChem CID 90111703) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]ethanol
PubChem CID90111703
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2cc(-c3cccc(Cl)c3)nc(C3CC3)c2)cc1
InChIInChI=1S/C22H21ClN2O/c23-18-3-1-2-17(12-18)22-14-20(13-21(25-22)16-6-7-16)24-19-8-4-15(5-9-19)10-11-26/h1-5,8-9,12-14,16,26H,6-7,10-11H2,(H,24,25)
InChIKeyGKYGVYSGYWZSKK-UHFFFAOYSA-N
XLogP5.56
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.88
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-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)ethanol
CID 90112745
US11401286, Example 113
CID 90338470
2-(4-((2-(3-Chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl)methyl)phenyl)ethanol
CID 90338480
US11401286, Example 153
CID 90110517
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)amino)phenyl)-3,3,3-trifluoropropan-1-ol
CID 118037155
US11401286, Example 151
CID 118037344
US11401286, Example 139
CID 90111592

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]ethanol?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]ethanol (CID 90111703) is 2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]ethanol is OCCc1ccc(Nc2cc(-c3cccc(Cl)c3)nc(C3CC3)c2)cc1.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]ethanol?
The InChIKey is GKYGVYSGYWZSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c23-18-3-1-2-17(12-18)22-14-20(13-21(25-22)16-6-7-16)24-19-8-4-15(5-9-19)10-11-26/h1-5,8-9,12-14,16,26H,6-7,10-11H2,(H,24,25).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]ethanol?
2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]ethanol has a molecular weight of 364.88 g/mol, XLogP of 5.56, 6 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-cyclopropyl-4-pyridinyl]amino]phenyl]ethanol is sourced from PubChem (CID 90111703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).