N-[1-(2-fluorophenyl)ethylidene]-N'-methylpropanimidamide

C12H15FN2 — CID 143699769

IUPACN-[1-(2-fluorophenyl)ethylidene]-N'-methylpropanimidamide
SMILESCCC(=N\C)/N=C(\C)c1ccccc1F
InChIInChI=1S/C12H15FN2/c1-4-12(14-3)15-9(2)10-7-5-6-8-11(10)13/h5-8H,4H2,1-3H3/b14-12+,15-9+
InChIKeyOTSZFURYGMEBSW-NSDDURSASA-N
MW206.26 g/mol
LogP3.07
Rot. Bonds2

About N-[1-(2-fluorophenyl)ethylidene]-N'-methylpropanimidamide

N-[1-(2-fluorophenyl)ethylidene]-N'-methylpropanimidamide (PubChem CID 143699769) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethylidene]-N'-methylpropanimidamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethylidene]-N'-methylpropanimidamide
PubChem CID143699769
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC NameN-[1-(2-fluorophenyl)ethylidene]-N'-methylpropanimidamide
SMILESCCC(=N\C)/N=C(\C)c1ccccc1F
InChIInChI=1S/C12H15FN2/c1-4-12(14-3)15-9(2)10-7-5-6-8-11(10)13/h5-8H,4H2,1-3H3/b14-12+,15-9+
InChIKeyOTSZFURYGMEBSW-NSDDURSASA-N
XLogP3.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Phenylethylidene)hydrazinecarboximidamide
CID 5916478
4'-Fluoroacetophenone oxime
CID 5382861
2-(3-Fluorophenyl)-3,4,5,6-tetrahydro-pyridine
CID 12009050
Acetophenone, dimethylhydrazone
CID 6172446
5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58335726
1-(4-Fluorophenyl)ethanone oxime
CID 9497
O-Fluoroacetophenone oxime
CID 9603264
N-[1-(2-fluorophenyl)ethylidene]hydroxylamine
CID 592758
N-(1-(3-Fluorophenyl)ethylidene)hydroxylamine
CID 71359994
methyl N-(dimethylaminomethylidene)-N'-[1-(4-fluorophenyl)ethylideneamino]carbamimidothioate
CID 2798973
methyl N-(dimethylaminomethylidene)-N'-[(Z)-1-(4-fluorophenyl)ethylideneamino]carbamimidothioate
CID 97295484
6-(4-fluorophenyl)-2-methyl-3H-azepine
CID 101954547

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethylidene]-N'-methylpropanimidamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethylidene]-N'-methylpropanimidamide (CID 143699769) is N-[1-(2-fluorophenyl)ethylidene]-N'-methylpropanimidamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethylidene]-N'-methylpropanimidamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethylidene]-N'-methylpropanimidamide is CCC(=N\C)/N=C(\C)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethylidene]-N'-methylpropanimidamide?
The InChIKey is OTSZFURYGMEBSW-NSDDURSASA-N. The full InChI is InChI=1S/C12H15FN2/c1-4-12(14-3)15-9(2)10-7-5-6-8-11(10)13/h5-8H,4H2,1-3H3/b14-12+,15-9+.
What are the key properties of N-[1-(2-fluorophenyl)ethylidene]-N'-methylpropanimidamide?
N-[1-(2-fluorophenyl)ethylidene]-N'-methylpropanimidamide has a molecular weight of 206.26 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethylidene]-N'-methylpropanimidamide is sourced from PubChem (CID 143699769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).