N-(5-fluoro-2,4-dimethylphenyl)butan-2-imine;methylcyclopropane

C16H24FN — CID 154643413

IUPACN-(5-fluoro-2,4-dimethylphenyl)butan-2-imine;methylcyclopropane
SMILESCC/C(C)=N/c1cc(F)c(C)cc1C.CC1CC1
InChIInChI=1S/C12H16FN.C4H8/c1-5-10(4)14-12-7-11(13)8(2)6-9(12)3;1-4-2-3-4/h6-7H,5H2,1-4H3;4H,2-3H2,1H3/b14-10+;
InChIKeyCKKWKRGIJAGYQU-KMZJGFRYSA-N
MW249.37 g/mol
LogP5.36
Rot. Bonds2

About N-(5-fluoro-2,4-dimethylphenyl)butan-2-imine;methylcyclopropane

N-(5-fluoro-2,4-dimethylphenyl)butan-2-imine;methylcyclopropane (PubChem CID 154643413) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-(5-fluoro-2,4-dimethylphenyl)butan-2-imine;methylcyclopropane.

Molecular Properties

Compound NameN-(5-fluoro-2,4-dimethylphenyl)butan-2-imine;methylcyclopropane
PubChem CID154643413
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-(5-fluoro-2,4-dimethylphenyl)butan-2-imine;methylcyclopropane
SMILESCC/C(C)=N/c1cc(F)c(C)cc1C.CC1CC1
InChIInChI=1S/C12H16FN.C4H8/c1-5-10(4)14-12-7-11(13)8(2)6-9(12)3;1-4-2-3-4/h6-7H,5H2,1-4H3;4H,2-3H2,1H3/b14-10+;
InChIKeyCKKWKRGIJAGYQU-KMZJGFRYSA-N
XLogP5.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.37
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,4-dimethylphenyl)butan-2-imine;methylcyclopropane?
The IUPAC name of N-(5-fluoro-2,4-dimethylphenyl)butan-2-imine;methylcyclopropane (CID 154643413) is N-(5-fluoro-2,4-dimethylphenyl)butan-2-imine;methylcyclopropane.
What is the SMILES notation for N-(5-fluoro-2,4-dimethylphenyl)butan-2-imine;methylcyclopropane?
The canonical SMILES for N-(5-fluoro-2,4-dimethylphenyl)butan-2-imine;methylcyclopropane is CC/C(C)=N/c1cc(F)c(C)cc1C.CC1CC1.
What is the InChIKey of N-(5-fluoro-2,4-dimethylphenyl)butan-2-imine;methylcyclopropane?
The InChIKey is CKKWKRGIJAGYQU-KMZJGFRYSA-N. The full InChI is InChI=1S/C12H16FN.C4H8/c1-5-10(4)14-12-7-11(13)8(2)6-9(12)3;1-4-2-3-4/h6-7H,5H2,1-4H3;4H,2-3H2,1H3/b14-10+;.
What are the key properties of N-(5-fluoro-2,4-dimethylphenyl)butan-2-imine;methylcyclopropane?
N-(5-fluoro-2,4-dimethylphenyl)butan-2-imine;methylcyclopropane has a molecular weight of 249.37 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,4-dimethylphenyl)butan-2-imine;methylcyclopropane is sourced from PubChem (CID 154643413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).