2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol

C12H17F3N2O — CID 130210301

IUPAC2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESCC(C)c1cnc(N(C)CCO)c(C(F)(F)F)c1
InChIInChI=1S/C12H17F3N2O/c1-8(2)9-6-10(12(13,14)15)11(16-7-9)17(3)4-5-18/h6-8,18H,4-5H2,1-3H3
InChIKeyOLESUBOVDHPWTI-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.65
Rot. Bonds4

About 2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol

2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol (PubChem CID 130210301) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol
PubChem CID130210301
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESCC(C)c1cnc(N(C)CCO)c(C(F)(F)F)c1
InChIInChI=1S/C12H17F3N2O/c1-8(2)9-6-10(12(13,14)15)11(16-7-9)17(3)4-5-18/h6-8,18H,4-5H2,1-3H3
InChIKeyOLESUBOVDHPWTI-UHFFFAOYSA-N
XLogP2.65
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol (CID 130210301) is 2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol is CC(C)c1cnc(N(C)CCO)c(C(F)(F)F)c1.
What is the InChIKey of 2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The InChIKey is OLESUBOVDHPWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-8(2)9-6-10(12(13,14)15)11(16-7-9)17(3)4-5-18/h6-8,18H,4-5H2,1-3H3.
What are the key properties of 2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol has a molecular weight of 262.27 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 130210301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).