2-(tert-butylamino)-1-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]ethanol

C13H19F3N2O — CID 155701455

IUPAC2-(tert-butylamino)-1-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESCc1ccc(C(O)CNC(C)(C)C)nc1C(F)(F)F
InChIInChI=1S/C13H19F3N2O/c1-8-5-6-9(18-11(8)13(14,15)16)10(19)7-17-12(2,3)4/h5-6,10,17,19H,7H2,1-4H3
InChIKeyZBJVSTIBLINAAL-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.83
Rot. Bonds3

About 2-(tert-butylamino)-1-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]ethanol

2-(tert-butylamino)-1-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]ethanol (PubChem CID 155701455) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]ethanol
PubChem CID155701455
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name2-(tert-butylamino)-1-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESCc1ccc(C(O)CNC(C)(C)C)nc1C(F)(F)F
InChIInChI=1S/C13H19F3N2O/c1-8-5-6-9(18-11(8)13(14,15)16)10(19)7-17-12(2,3)4/h5-6,10,17,19H,7H2,1-4H3
InChIKeyZBJVSTIBLINAAL-UHFFFAOYSA-N
XLogP2.83
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]ethanol?
The IUPAC name of 2-(tert-butylamino)-1-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]ethanol (CID 155701455) is 2-(tert-butylamino)-1-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]ethanol is Cc1ccc(C(O)CNC(C)(C)C)nc1C(F)(F)F.
What is the InChIKey of 2-(tert-butylamino)-1-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]ethanol?
The InChIKey is ZBJVSTIBLINAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-8-5-6-9(18-11(8)13(14,15)16)10(19)7-17-12(2,3)4/h5-6,10,17,19H,7H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-1-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]ethanol?
2-(tert-butylamino)-1-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]ethanol has a molecular weight of 276.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]ethanol is sourced from PubChem (CID 155701455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).