2-[3-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol

C22H21ClN2O — CID 90338537

IUPAC2-[3-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol
SMILESOCCc1cccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)c1
InChIInChI=1S/C22H21ClN2O/c23-17-6-2-5-16(13-17)21-14-22(19-8-3-9-20(19)25-21)24-18-7-1-4-15(12-18)10-11-26/h1-2,4-7,12-14,26H,3,8-11H2,(H,24,25)
InChIKeyZQBBCONWIOAVGQ-UHFFFAOYSA-N
MW364.88 g/mol
LogP5.17
Rot. Bonds5

About 2-[3-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol

2-[3-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol (PubChem CID 90338537) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is 2-[3-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[3-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol
PubChem CID90338537
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name2-[3-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol
SMILESOCCc1cccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)c1
InChIInChI=1S/C22H21ClN2O/c23-17-6-2-5-16(13-17)21-14-22(19-8-3-9-20(19)25-21)24-18-7-1-4-15(12-18)10-11-26/h1-2,4-7,12-14,26H,3,8-11H2,(H,24,25)
InChIKeyZQBBCONWIOAVGQ-UHFFFAOYSA-N
XLogP5.17
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.88
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]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
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
US11401286, Example 290
CID 90338524
US11401286, Example 153
CID 90110517
US11401286, Example 151
CID 118037344
2-(4-((2-(3-Chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino)phenyl)ethanol
CID 90109884
US11401286, Example 140
CID 90111703
(4-((2-(3-Chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino)phenyl)methanol
CID 90112337
US11401286, Example 85
CID 90338522

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol?
The IUPAC name of 2-[3-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol (CID 90338537) is 2-[3-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol.
What is the SMILES notation for 2-[3-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol?
The canonical SMILES for 2-[3-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol is OCCc1cccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)c1.
What is the InChIKey of 2-[3-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol?
The InChIKey is ZQBBCONWIOAVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c23-17-6-2-5-16(13-17)21-14-22(19-8-3-9-20(19)25-21)24-18-7-1-4-15(12-18)10-11-26/h1-2,4-7,12-14,26H,3,8-11H2,(H,24,25).
What are the key properties of 2-[3-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol?
2-[3-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol has a molecular weight of 364.88 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol is sourced from PubChem (CID 90338537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).