2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]ethanol

C13H17F3N2O — CID 133496229

IUPAC2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]ethanol
SMILESOCCC1CCCC1Nc1ncccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)10-4-2-7-17-12(10)18-11-5-1-3-9(11)6-8-19/h2,4,7,9,11,19H,1,3,5-6,8H2,(H,17,18)
InChIKeyNGXTUSMDHWAPPH-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.06
Rot. Bonds4

About 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]ethanol

2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]ethanol (PubChem CID 133496229) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]ethanol
PubChem CID133496229
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]ethanol
SMILESOCCC1CCCC1Nc1ncccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)10-4-2-7-17-12(10)18-11-5-1-3-9(11)6-8-19/h2,4,7,9,11,19H,1,3,5-6,8H2,(H,17,18)
InChIKeyNGXTUSMDHWAPPH-UHFFFAOYSA-N
XLogP3.06
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(chloromethyl)cyclohexyl]-3-(trifluoromethyl)pyridin-2-amine
CID 114179338
2-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyridine-3-carbonitrile
CID 133496410
2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol
CID 133496220
N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 62397155
3-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 63041886
2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]ethanol
CID 133496440
2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carbonitrile
CID 103703733
N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridin-2-amine
CID 106365501
N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 63536770
2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 106361785
[2-[(3-methoxy-2-pyridinyl)amino]cyclopentyl]methanol
CID 106362135
N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine
CID 63319382

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]ethanol?
The IUPAC name of 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]ethanol (CID 133496229) is 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]ethanol.
What is the SMILES notation for 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]ethanol?
The canonical SMILES for 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]ethanol is OCCC1CCCC1Nc1ncccc1C(F)(F)F.
What is the InChIKey of 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]ethanol?
The InChIKey is NGXTUSMDHWAPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)10-4-2-7-17-12(10)18-11-5-1-3-9(11)6-8-19/h2,4,7,9,11,19H,1,3,5-6,8H2,(H,17,18).
What are the key properties of 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]ethanol?
2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]ethanol has a molecular weight of 274.29 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]ethanol is sourced from PubChem (CID 133496229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).