2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide

C15H15FN2O — CID 107930844

IUPAC2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1cc(C)ccc1F
InChIInChI=1S/C15H15FN2O/c1-9-4-6-13(11(7-9)15(17)18)19-14-8-10(2)3-5-12(14)16/h3-8H,1-2H3,(H3,17,18)
InChIKeyDHSGFWPRYVPKLL-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.52
Rot. Bonds3

About 2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide

2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide (PubChem CID 107930844) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide
PubChem CID107930844
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1cc(C)ccc1F
InChIInChI=1S/C15H15FN2O/c1-9-4-6-13(11(7-9)15(17)18)19-14-8-10(2)3-5-12(14)16/h3-8H,1-2H3,(H3,17,18)
InChIKeyDHSGFWPRYVPKLL-UHFFFAOYSA-N
XLogP3.52
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.52
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-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide
CID 64855794
2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930851
2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide
CID 107930831
2-(2-fluoro-5-methylphenoxy)-6-methylpyridine-3-carboximidamide
CID 64855988
5-methyl-2-(3-methylphenoxy)benzenecarboximidamide
CID 114017320
2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide
CID 107930685
5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide
CID 107930807
2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide
CID 107930880
2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide
CID 107930737
4-chloro-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 63093366
6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide
CID 64855796
2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 107536673

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide (CID 107930844) is 2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1Oc1cc(C)ccc1F.
What is the InChIKey of 2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide?
The InChIKey is DHSGFWPRYVPKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-9-4-6-13(11(7-9)15(17)18)19-14-8-10(2)3-5-12(14)16/h3-8H,1-2H3,(H3,17,18).
What are the key properties of 2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide?
2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide has a molecular weight of 258.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).