2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol

C11H15F3N2O — CID 66330070

IUPAC2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESCCCN(CCO)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H15F3N2O/c1-2-5-16(6-7-17)10-8-9(3-4-15-10)11(12,13)14/h3-4,8,17H,2,5-7H2,1H3
InChIKeyIHXIOIXBWKZKDT-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.31
Rot. Bonds5

About 2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol

2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol (PubChem CID 66330070) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
PubChem CID66330070
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESCCCN(CCO)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H15F3N2O/c1-2-5-16(6-7-17)10-8-9(3-4-15-10)11(12,13)14/h3-4,8,17H,2,5-7H2,1H3
InChIKeyIHXIOIXBWKZKDT-UHFFFAOYSA-N
XLogP2.31
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-aminoethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 66328118
N-(piperidin-2-ylmethyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 106642582
2-[propyl-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 102717771
2-[propyl(pyrimidin-4-yl)amino]ethanol
CID 61426077
N-(5-bromopentyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 107205276
2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484659
N-(2-bromoethyl)-N-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine
CID 80671024
N'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide
CID 77126126
3-[ethyl-[4-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 66329427
2-(dipropylamino)pyridine-4-carbonitrile
CID 14640854
2-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
CID 56786352
2-[ethyl(propyl)amino]pyridine-4-carboxylic acid
CID 43269021

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol (CID 66330070) is 2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol is CCCN(CCO)c1cc(C(F)(F)F)ccn1.
What is the InChIKey of 2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The InChIKey is IHXIOIXBWKZKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-2-5-16(6-7-17)10-8-9(3-4-15-10)11(12,13)14/h3-4,8,17H,2,5-7H2,1H3.
What are the key properties of 2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol has a molecular weight of 248.25 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 66330070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).