2-(oxan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine

C13H17F3N2O — CID 86716201

IUPAC2-(oxan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESNCC(c1ccc(C(F)(F)F)nc1)C1CCOCC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)12-2-1-10(8-18-12)11(7-17)9-3-5-19-6-4-9/h1-2,8-9,11H,3-7,17H2
InChIKeyZTARBAUIPSKIKX-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.57
Rot. Bonds3

About 2-(oxan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine

2-(oxan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine (PubChem CID 86716201) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-(oxan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-(oxan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
PubChem CID86716201
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-(oxan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESNCC(c1ccc(C(F)(F)F)nc1)C1CCOCC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)12-2-1-10(8-18-12)11(7-17)9-3-5-19-6-4-9/h1-2,8-9,11H,3-7,17H2
InChIKeyZTARBAUIPSKIKX-UHFFFAOYSA-N
XLogP2.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
The IUPAC name of 2-(oxan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine (CID 86716201) is 2-(oxan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-(oxan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-(oxan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine is NCC(c1ccc(C(F)(F)F)nc1)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
The InChIKey is ZTARBAUIPSKIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)12-2-1-10(8-18-12)11(7-17)9-3-5-19-6-4-9/h1-2,8-9,11H,3-7,17H2.
What are the key properties of 2-(oxan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
2-(oxan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine has a molecular weight of 274.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 86716201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).