1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]ethanamine

C14H19F3N2O — CID 121318767

IUPAC1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]ethanamine
SMILESCC(N)C1CCC(Oc2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H19F3N2O/c1-9(18)10-2-4-11(5-3-10)20-12-6-7-19-13(8-12)14(15,16)17/h6-11H,2-5,18H2,1H3
InChIKeyKCZROSSGKJOFNY-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.39
Rot. Bonds3

About 1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]ethanamine

1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]ethanamine (PubChem CID 121318767) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]ethanamine.

Molecular Properties

Compound Name1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]ethanamine
PubChem CID121318767
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]ethanamine
SMILESCC(N)C1CCC(Oc2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H19F3N2O/c1-9(18)10-2-4-11(5-3-10)20-12-6-7-19-13(8-12)14(15,16)17/h6-11H,2-5,18H2,1H3
InChIKeyKCZROSSGKJOFNY-UHFFFAOYSA-N
XLogP3.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]ethanamine?
The IUPAC name of 1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]ethanamine (CID 121318767) is 1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]ethanamine.
What is the SMILES notation for 1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]ethanamine?
The canonical SMILES for 1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]ethanamine is CC(N)C1CCC(Oc2ccnc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]ethanamine?
The InChIKey is KCZROSSGKJOFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-9(18)10-2-4-11(5-3-10)20-12-6-7-19-13(8-12)14(15,16)17/h6-11H,2-5,18H2,1H3.
What are the key properties of 1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]ethanamine?
1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]ethanamine has a molecular weight of 288.31 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]ethanamine is sourced from PubChem (CID 121318767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).