4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide

C15H15BrN2O — CID 107724678

IUPAC4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(C)c(Br)c(C)c2)cc1
InChIInChI=1S/C15H15BrN2O/c1-9-7-13(8-10(2)14(9)16)19-12-5-3-11(4-6-12)15(17)18/h3-8H,1-2H3,(H3,17,18)
InChIKeyCDOSJYCNRJWJRD-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.14
Rot. Bonds3

About 4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide

4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide (PubChem CID 107724678) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
PubChem CID107724678
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(C)c(Br)c(C)c2)cc1
InChIInChI=1S/C15H15BrN2O/c1-9-7-13(8-10(2)14(9)16)19-12-5-3-11(4-6-12)15(17)18/h3-8H,1-2H3,(H3,17,18)
InChIKeyCDOSJYCNRJWJRD-UHFFFAOYSA-N
XLogP4.14
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.14
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-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
CID 107724642
4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide
CID 81276388
3-bromo-4-(4-methylphenoxy)benzenecarboximidamide
CID 82799325
3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide
CID 107724658
6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide
CID 83141115
4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 43123450
4-aminooxybenzenecarboximidamide
CID 10441869
4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709008
3-[4-(aminomethyl)phenoxy]-5-(4-carbamimidoylphenoxy)benzamide
CID 68787822
2-methyl-4-(4-propylphenoxy)benzenecarboximidamide
CID 81276494
4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide
CID 83140790
2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide
CID 107279532

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide?
The IUPAC name of 4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide (CID 107724678) is 4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide?
The canonical SMILES for 4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cc(C)c(Br)c(C)c2)cc1.
What is the InChIKey of 4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide?
The InChIKey is CDOSJYCNRJWJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-9-7-13(8-10(2)14(9)16)19-12-5-3-11(4-6-12)15(17)18/h3-8H,1-2H3,(H3,17,18).
What are the key properties of 4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide?
4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide has a molecular weight of 319.20 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 107724678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).