2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol

C14H20F3N3O — CID 102718042

IUPAC2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol
SMILESNc1cc(C(F)(F)F)cc(N(CCO)C2CCCCC2)n1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)10-8-12(18)19-13(9-10)20(6-7-21)11-4-2-1-3-5-11/h8-9,11,21H,1-7H2,(H2,18,19)
InChIKeyJTFNCAPXBJVRTQ-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.81
Rot. Bonds4

About 2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol

2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol (PubChem CID 102718042) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol
PubChem CID102718042
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol
SMILESNc1cc(C(F)(F)F)cc(N(CCO)C2CCCCC2)n1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)10-8-12(18)19-13(9-10)20(6-7-21)11-4-2-1-3-5-11/h8-9,11,21H,1-7H2,(H2,18,19)
InChIKeyJTFNCAPXBJVRTQ-UHFFFAOYSA-N
XLogP2.81
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol?
The IUPAC name of 2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol (CID 102718042) is 2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol?
The canonical SMILES for 2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol is Nc1cc(C(F)(F)F)cc(N(CCO)C2CCCCC2)n1.
What is the InChIKey of 2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol?
The InChIKey is JTFNCAPXBJVRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c15-14(16,17)10-8-12(18)19-13(9-10)20(6-7-21)11-4-2-1-3-5-11/h8-9,11,21H,1-7H2,(H2,18,19).
What are the key properties of 2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol?
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol has a molecular weight of 303.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol is sourced from PubChem (CID 102718042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).