2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide

C14H20F3IN4O2 — CID 120661971

IUPAC2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CCOc2cccc(C(F)(F)F)n2)CCO1.I
InChIInChI=1S/C14H19F3N4O2.HI/c1-10-9-21(6-8-22-10)13(18)19-5-7-23-12-4-2-3-11(20-12)14(15,16)17;/h2-4,10H,5-9H2,1H3,(H2,18,19);1H
InChIKeyAXRIRQHFZINYGG-UHFFFAOYSA-N
MW460.24 g/mol
LogP2.13
Rot. Bonds4

About 2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide

2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 120661971) has the molecular formula C14H20F3IN4O2 and a molecular weight of 460.24 g/mol. Its IUPAC name is 2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound Name2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID120661971
Molecular FormulaC14H20F3IN4O2
Molecular Weight460.24 g/mol
Exact Mass460.06
IUPAC Name2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CCOc2cccc(C(F)(F)F)n2)CCO1.I
InChIInChI=1S/C14H19F3N4O2.HI/c1-10-9-21(6-8-22-10)13(18)19-5-7-23-12-4-2-3-11(20-12)14(15,16)17;/h2-4,10H,5-9H2,1H3,(H2,18,19);1H
InChIKeyAXRIRQHFZINYGG-UHFFFAOYSA-N
XLogP2.13
TPSA72.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of 2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide (CID 120661971) is 2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for 2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for 2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide is CC1CN(/C(N)=N/CCOc2cccc(C(F)(F)F)n2)CCO1.I.
What is the InChIKey of 2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is AXRIRQHFZINYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2.HI/c1-10-9-21(6-8-22-10)13(18)19-5-7-23-12-4-2-3-11(20-12)14(15,16)17;/h2-4,10H,5-9H2,1H3,(H2,18,19);1H.
What are the key properties of 2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide?
2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 460.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120661971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).