N-ethyl-2-(2-fluorophenyl)-N'-methylethanimidamide

C11H15FN2 — CID 143515569

IUPACN-ethyl-2-(2-fluorophenyl)-N'-methylethanimidamide
SMILESCCN/C(Cc1ccccc1F)=N\C
InChIInChI=1S/C11H15FN2/c1-3-14-11(13-2)8-9-6-4-5-7-10(9)12/h4-7H,3,8H2,1-2H3,(H,13,14)
InChIKeyWMXMOEHEWVHJQM-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.01
Rot. Bonds3

About N-ethyl-2-(2-fluorophenyl)-N'-methylethanimidamide

N-ethyl-2-(2-fluorophenyl)-N'-methylethanimidamide (PubChem CID 143515569) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)-N'-methylethanimidamide.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)-N'-methylethanimidamide
PubChem CID143515569
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC NameN-ethyl-2-(2-fluorophenyl)-N'-methylethanimidamide
SMILESCCN/C(Cc1ccccc1F)=N\C
InChIInChI=1S/C11H15FN2/c1-3-14-11(13-2)8-9-6-4-5-7-10(9)12/h4-7H,3,8H2,1-2H3,(H,13,14)
InChIKeyWMXMOEHEWVHJQM-UHFFFAOYSA-N
XLogP2.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)-N'-methylethanimidamide?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)-N'-methylethanimidamide (CID 143515569) is N-ethyl-2-(2-fluorophenyl)-N'-methylethanimidamide.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)-N'-methylethanimidamide?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)-N'-methylethanimidamide is CCN/C(Cc1ccccc1F)=N\C.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)-N'-methylethanimidamide?
The InChIKey is WMXMOEHEWVHJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-3-14-11(13-2)8-9-6-4-5-7-10(9)12/h4-7H,3,8H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-2-(2-fluorophenyl)-N'-methylethanimidamide?
N-ethyl-2-(2-fluorophenyl)-N'-methylethanimidamide has a molecular weight of 194.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)-N'-methylethanimidamide is sourced from PubChem (CID 143515569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).