ethane;4-ethyl-5-fluoro-N',2-dimethylbenzenecarboximidamide

C13H21FN2 — CID 143831118

IUPACethane;4-ethyl-5-fluoro-N',2-dimethylbenzenecarboximidamide
SMILESCC.CCc1cc(C)c(/C(N)=N/C)cc1F
InChIInChI=1S/C11H15FN2.C2H6/c1-4-8-5-7(2)9(6-10(8)12)11(13)14-3;1-2/h5-6H,4H2,1-3H3,(H2,13,14);1-2H3
InChIKeyQJUYNKSVSLYUCH-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.06
Rot. Bonds2

About ethane;4-ethyl-5-fluoro-N',2-dimethylbenzenecarboximidamide

ethane;4-ethyl-5-fluoro-N',2-dimethylbenzenecarboximidamide (PubChem CID 143831118) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is ethane;4-ethyl-5-fluoro-N',2-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Nameethane;4-ethyl-5-fluoro-N',2-dimethylbenzenecarboximidamide
PubChem CID143831118
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Nameethane;4-ethyl-5-fluoro-N',2-dimethylbenzenecarboximidamide
SMILESCC.CCc1cc(C)c(/C(N)=N/C)cc1F
InChIInChI=1S/C11H15FN2.C2H6/c1-4-8-5-7(2)9(6-10(8)12)11(13)14-3;1-2/h5-6H,4H2,1-3H3,(H2,13,14);1-2H3
InChIKeyQJUYNKSVSLYUCH-UHFFFAOYSA-N
XLogP3.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.06
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 ethane;4-ethyl-5-fluoro-N',2-dimethylbenzenecarboximidamide?
The IUPAC name of ethane;4-ethyl-5-fluoro-N',2-dimethylbenzenecarboximidamide (CID 143831118) is ethane;4-ethyl-5-fluoro-N',2-dimethylbenzenecarboximidamide.
What is the SMILES notation for ethane;4-ethyl-5-fluoro-N',2-dimethylbenzenecarboximidamide?
The canonical SMILES for ethane;4-ethyl-5-fluoro-N',2-dimethylbenzenecarboximidamide is CC.CCc1cc(C)c(/C(N)=N/C)cc1F.
What is the InChIKey of ethane;4-ethyl-5-fluoro-N',2-dimethylbenzenecarboximidamide?
The InChIKey is QJUYNKSVSLYUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2.C2H6/c1-4-8-5-7(2)9(6-10(8)12)11(13)14-3;1-2/h5-6H,4H2,1-3H3,(H2,13,14);1-2H3.
What are the key properties of ethane;4-ethyl-5-fluoro-N',2-dimethylbenzenecarboximidamide?
ethane;4-ethyl-5-fluoro-N',2-dimethylbenzenecarboximidamide has a molecular weight of 224.32 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-5-fluoro-N',2-dimethylbenzenecarboximidamide is sourced from PubChem (CID 143831118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).