2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide

C15H15FN2O — CID 79520315

IUPAC2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1Oc1ccc(CC)cc1
InChIInChI=1S/C15H15FN2O/c1-2-10-6-8-11(9-7-10)19-13-5-3-4-12(16)14(13)15(17)18/h3-9H,2H2,1H3,(H3,17,18)
InChIKeyADSSWEYOUULHNP-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.46
Rot. Bonds4

About 2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide

2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide (PubChem CID 79520315) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide
PubChem CID79520315
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1Oc1ccc(CC)cc1
InChIInChI=1S/C15H15FN2O/c1-2-10-6-8-11(9-7-10)19-13-5-3-4-12(16)14(13)15(17)18/h3-9H,2H2,1H3,(H3,17,18)
InChIKeyADSSWEYOUULHNP-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

2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
CID 79523185
2-fluoro-6-(4-nitrophenoxy)benzenecarboximidamide
CID 79017446
2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide
CID 79520393
2-fluoro-6-pyridin-3-yloxybenzenecarboximidamide
CID 79522129
2-butan-2-yloxy-6-fluorobenzenecarboximidamide
CID 43609351
2-bromo-6-(4-ethylphenoxy)benzenecarbothioamide
CID 114882842
2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride
CID 82240764
2-fluoro-6-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712612
2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708988
2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110587
2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide
CID 43609327
2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide
CID 43609384

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide?
The IUPAC name of 2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide (CID 79520315) is 2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide?
The canonical SMILES for 2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1Oc1ccc(CC)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide?
The InChIKey is ADSSWEYOUULHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-2-10-6-8-11(9-7-10)19-13-5-3-4-12(16)14(13)15(17)18/h3-9H,2H2,1H3,(H3,17,18).
What are the key properties of 2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide?
2-(4-ethylphenoxy)-6-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 2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide is sourced from PubChem (CID 79520315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).