4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide

C15H15FN2O — CID 43658562

IUPAC4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccccc2CC)c(F)c1
InChIInChI=1S/C15H15FN2O/c1-2-10-5-3-4-6-13(10)19-14-8-7-11(15(17)18)9-12(14)16/h3-9H,2H2,1H3,(H3,17,18)
InChIKeyXIUYMXKMYJPZDG-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.46
Rot. Bonds4

About 4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide

4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide (PubChem CID 43658562) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide
PubChem CID43658562
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccccc2CC)c(F)c1
InChIInChI=1S/C15H15FN2O/c1-2-10-5-3-4-6-13(10)19-14-8-7-11(15(17)18)9-12(14)16/h3-9H,2H2,1H3,(H3,17,18)
InChIKeyXIUYMXKMYJPZDG-UHFFFAOYSA-N
XLogP3.46
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293862
3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide
CID 107658516
2-(2-ethylphenoxy)benzenecarboximidamide
CID 43364301
3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide
CID 107743283
3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride
CID 82240746
4-[2-(2-ethylphenoxy)ethoxy]benzenecarboximidamide
CID 61300591
4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene
CID 43173845
3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
CID 82253205
2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63291072
4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide
CID 62383562
2-(2-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110639
4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide
CID 43658441

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide (CID 43658562) is 4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccccc2CC)c(F)c1.
What is the InChIKey of 4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide?
The InChIKey is XIUYMXKMYJPZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-2-10-5-3-4-6-13(10)19-14-8-7-11(15(17)18)9-12(14)16/h3-9H,2H2,1H3,(H3,17,18).
What are the key properties of 4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide?
4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide has a molecular weight of 258.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 43658562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).