2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide

C15H15BrN2O2 — CID 107930880

IUPAC2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1ccc(OC)cc1Br
InChIInChI=1S/C15H15BrN2O2/c1-9-3-5-13(11(7-9)15(17)18)20-14-6-4-10(19-2)8-12(14)16/h3-8H,1-2H3,(H3,17,18)
InChIKeyGMRJSEUXLWCOJS-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.84
Rot. Bonds4

About 2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide

2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide (PubChem CID 107930880) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide
PubChem CID107930880
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1ccc(OC)cc1Br
InChIInChI=1S/C15H15BrN2O2/c1-9-3-5-13(11(7-9)15(17)18)20-14-6-4-10(19-2)8-12(14)16/h3-8H,1-2H3,(H3,17,18)
InChIKeyGMRJSEUXLWCOJS-UHFFFAOYSA-N
XLogP3.84
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methoxy-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 81299836
2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide
CID 107930737
2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930844
5-methyl-2-(3-methylphenoxy)benzenecarboximidamide
CID 114017320
4-methoxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 81302853
2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930851
3-bromo-4-(4-methylphenoxy)benzenecarboximidamide
CID 82799325
4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 114904752
2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide
CID 107930831
2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 107536673
5-(2-bromo-4-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 104707795
5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide
CID 107930807

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide (CID 107930880) is 2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1Oc1ccc(OC)cc1Br.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide?
The InChIKey is GMRJSEUXLWCOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9-3-5-13(11(7-9)15(17)18)20-14-6-4-10(19-2)8-12(14)16/h3-8H,1-2H3,(H3,17,18).
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide?
2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide has a molecular weight of 335.20 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).