4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide

C15H15BrN2O2 — CID 114904752

IUPAC4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1Oc1ccc(C)cc1OC
InChIInChI=1S/C15H15BrN2O2/c1-9-3-6-12(14(7-9)19-2)20-13-8-10(16)4-5-11(13)15(17)18/h3-8H,1-2H3,(H3,17,18)
InChIKeyJRIJWOWJGUREDA-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.84
Rot. Bonds4

About 4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide

4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide (PubChem CID 114904752) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
PubChem CID114904752
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1Oc1ccc(C)cc1OC
InChIInChI=1S/C15H15BrN2O2/c1-9-3-6-12(14(7-9)19-2)20-13-8-10(16)4-5-11(13)15(17)18/h3-8H,1-2H3,(H3,17,18)
InChIKeyJRIJWOWJGUREDA-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
4-chloro-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 63093366
2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 107536673
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
1-[4-bromo-2-(2-methoxy-4-methylphenoxy)phenyl]ethanone
CID 82971742
2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarboximidamide
CID 107658488
2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide
CID 81303045
2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide
CID 81303138
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 81332379
2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide
CID 107930880
4-methoxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 81302853

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide?
The IUPAC name of 4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide (CID 114904752) is 4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide?
The canonical SMILES for 4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Br)cc1Oc1ccc(C)cc1OC.
What is the InChIKey of 4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide?
The InChIKey is JRIJWOWJGUREDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9-3-6-12(14(7-9)19-2)20-13-8-10(16)4-5-11(13)15(17)18/h3-8H,1-2H3,(H3,17,18).
What are the key properties of 4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide?
4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide 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 4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 114904752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).