3-fluoro-N'-(2-methoxyethyl)-4-methylbenzenecarboximidamide

C11H15FN2O — CID 63182070

IUPAC3-fluoro-N'-(2-methoxyethyl)-4-methylbenzenecarboximidamide
SMILESCOCC/N=C(\N)c1ccc(C)c(F)c1
InChIInChI=1S/C11H15FN2O/c1-8-3-4-9(7-10(8)12)11(13)14-5-6-15-2/h3-4,7H,5-6H2,1-2H3,(H2,13,14)
InChIKeyPLXUZTKQGIOVLT-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.49
Rot. Bonds4

About 3-fluoro-N'-(2-methoxyethyl)-4-methylbenzenecarboximidamide

3-fluoro-N'-(2-methoxyethyl)-4-methylbenzenecarboximidamide (PubChem CID 63182070) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-fluoro-N'-(2-methoxyethyl)-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-(2-methoxyethyl)-4-methylbenzenecarboximidamide
PubChem CID63182070
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name3-fluoro-N'-(2-methoxyethyl)-4-methylbenzenecarboximidamide
SMILESCOCC/N=C(\N)c1ccc(C)c(F)c1
InChIInChI=1S/C11H15FN2O/c1-8-3-4-9(7-10(8)12)11(13)14-5-6-15-2/h3-4,7H,5-6H2,1-2H3,(H2,13,14)
InChIKeyPLXUZTKQGIOVLT-UHFFFAOYSA-N
XLogP1.49
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-(2-methoxyethyl)-4-methylbenzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-(2-methoxyethyl)-4-methylbenzenecarboximidamide (CID 63182070) is 3-fluoro-N'-(2-methoxyethyl)-4-methylbenzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-(2-methoxyethyl)-4-methylbenzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-(2-methoxyethyl)-4-methylbenzenecarboximidamide is COCC/N=C(\N)c1ccc(C)c(F)c1.
What is the InChIKey of 3-fluoro-N'-(2-methoxyethyl)-4-methylbenzenecarboximidamide?
The InChIKey is PLXUZTKQGIOVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-8-3-4-9(7-10(8)12)11(13)14-5-6-15-2/h3-4,7H,5-6H2,1-2H3,(H2,13,14).
What are the key properties of 3-fluoro-N'-(2-methoxyethyl)-4-methylbenzenecarboximidamide?
3-fluoro-N'-(2-methoxyethyl)-4-methylbenzenecarboximidamide has a molecular weight of 210.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-(2-methoxyethyl)-4-methylbenzenecarboximidamide is sourced from PubChem (CID 63182070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).