2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide

C15H15ClN2O — CID 107930851

IUPAC2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1cc(Cl)ccc1C
InChIInChI=1S/C15H15ClN2O/c1-9-3-6-13(12(7-9)15(17)18)19-14-8-11(16)5-4-10(14)2/h3-8H,1-2H3,(H3,17,18)
InChIKeyUXHGBKFLYHSHTJ-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.03
Rot. Bonds3

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

2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide (PubChem CID 107930851) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide
PubChem CID107930851
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1cc(Cl)ccc1C
InChIInChI=1S/C15H15ClN2O/c1-9-3-6-13(12(7-9)15(17)18)19-14-8-11(16)5-4-10(14)2/h3-8H,1-2H3,(H3,17,18)
InChIKeyUXHGBKFLYHSHTJ-UHFFFAOYSA-N
XLogP4.03
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.03
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-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930844
2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide
CID 107930685
4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 63525014
4-chloro-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 63093366
4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide
CID 64855794
2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide
CID 107930831
2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide
CID 107930880
5-chloro-2-(3-methyl-2-nitrophenoxy)benzenecarboximidamide
CID 62495102
5-methyl-2-(3-methylphenoxy)benzenecarboximidamide
CID 114017320
5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide
CID 107930807
5-methyl-2-(2-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 107930878
2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide
CID 107930737

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide (CID 107930851) is 2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1Oc1cc(Cl)ccc1C.
What is the InChIKey of 2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide?
The InChIKey is UXHGBKFLYHSHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-9-3-6-13(12(7-9)15(17)18)19-14-8-11(16)5-4-10(14)2/h3-8H,1-2H3,(H3,17,18).
What are the key properties of 2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide?
2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide has a molecular weight of 274.75 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).