2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol

C11H13F3N2O — CID 102709143

IUPAC2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESOC(CNC1CC1)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9-3-4-15-5-8(9)10(17)6-16-7-1-2-7/h3-5,7,10,16-17H,1-2,6H2
InChIKeyBMNIWELIPRWMDW-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.89
Rot. Bonds4

About 2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol

2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol (PubChem CID 102709143) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
PubChem CID102709143
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESOC(CNC1CC1)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9-3-4-15-5-8(9)10(17)6-16-7-1-2-7/h3-5,7,10,16-17H,1-2,6H2
InChIKeyBMNIWELIPRWMDW-UHFFFAOYSA-N
XLogP1.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol
CID 102707910
piperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707413
4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 114211469
4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102710133
2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707787
3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102707904
2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707917
(1,1-dioxothiolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707884
[cycloheptyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710352

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The IUPAC name of 2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol (CID 102709143) is 2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol.
What is the SMILES notation for 2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The canonical SMILES for 2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol is OC(CNC1CC1)c1cnccc1C(F)(F)F.
What is the InChIKey of 2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The InChIKey is BMNIWELIPRWMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)9-3-4-15-5-8(9)10(17)6-16-7-1-2-7/h3-5,7,10,16-17H,1-2,6H2.
What are the key properties of 2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol has a molecular weight of 246.23 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol is sourced from PubChem (CID 102709143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).