2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide

C14H18F3N3O — CID 43544649

IUPAC2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1N1CC(C)OCC1C
InChIInChI=1S/C14H18F3N3O/c1-8-7-21-9(2)6-20(8)12-4-3-10(14(15,16)17)5-11(12)13(18)19/h3-5,8-9H,6-7H2,1-2H3,(H3,18,19)
InChIKeyAQGJPQAAMGYNOA-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.60
Rot. Bonds2

About 2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide

2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43544649) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID43544649
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1N1CC(C)OCC1C
InChIInChI=1S/C14H18F3N3O/c1-8-7-21-9(2)6-20(8)12-4-3-10(14(15,16)17)5-11(12)13(18)19/h3-5,8-9H,6-7H2,1-2H3,(H3,18,19)
InChIKeyAQGJPQAAMGYNOA-UHFFFAOYSA-N
XLogP2.60
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide (CID 43544649) is 2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(C(F)(F)F)ccc1N1CC(C)OCC1C.
What is the InChIKey of 2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is AQGJPQAAMGYNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-8-7-21-9(2)6-20(8)12-4-3-10(14(15,16)17)5-11(12)13(18)19/h3-5,8-9H,6-7H2,1-2H3,(H3,18,19).
What are the key properties of 2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide?
2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 301.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43544649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).