4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide

C14H18F3N3O — CID 43320915

IUPAC4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(C)OC(C)C2)cc1C(F)(F)F
InChIInChI=1S/C14H18F3N3O/c1-8-6-20(7-9(2)21-8)10-3-4-11(13(18)19)12(5-10)14(15,16)17/h3-5,8-9H,6-7H2,1-2H3,(H3,18,19)
InChIKeyBFBCIIFXIFHWPX-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.60
Rot. Bonds2

About 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide

4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43320915) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID43320915
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(C)OC(C)C2)cc1C(F)(F)F
InChIInChI=1S/C14H18F3N3O/c1-8-6-20(7-9(2)21-8)10-3-4-11(13(18)19)12(5-10)14(15,16)17/h3-5,8-9H,6-7H2,1-2H3,(H3,18,19)
InChIKeyBFBCIIFXIFHWPX-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 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide (CID 43320915) is 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CC(C)OC(C)C2)cc1C(F)(F)F.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is BFBCIIFXIFHWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-8-6-20(7-9(2)21-8)10-3-4-11(13(18)19)12(5-10)14(15,16)17/h3-5,8-9H,6-7H2,1-2H3,(H3,18,19).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide?
4-(2,6-dimethylmorpholin-4-yl)-2-(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 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43320915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).