3-bromo-4-(4-methylphenoxy)benzenecarboximidamide

C14H13BrN2O — CID 82799325

IUPAC3-bromo-4-(4-methylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(C)cc2)c(Br)c1
InChIInChI=1S/C14H13BrN2O/c1-9-2-5-11(6-3-9)18-13-7-4-10(14(16)17)8-12(13)15/h2-8H,1H3,(H3,16,17)
InChIKeyWUVYNMAPJCZUIO-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.83
Rot. Bonds3

About 3-bromo-4-(4-methylphenoxy)benzenecarboximidamide

3-bromo-4-(4-methylphenoxy)benzenecarboximidamide (PubChem CID 82799325) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 3-bromo-4-(4-methylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-(4-methylphenoxy)benzenecarboximidamide
PubChem CID82799325
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name3-bromo-4-(4-methylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(C)cc2)c(Br)c1
InChIInChI=1S/C14H13BrN2O/c1-9-2-5-11(6-3-9)18-13-7-4-10(14(16)17)8-12(13)15/h2-8H,1H3,(H3,16,17)
InChIKeyWUVYNMAPJCZUIO-UHFFFAOYSA-N
XLogP3.83
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.83
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

3-bromo-4-(4-methylsulfonylphenoxy)benzenecarboximidamide
CID 82787062
3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide
CID 82799447
3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide
CID 82799032
3-bromo-4-(4-nitrophenoxy)benzenecarboximidamide
CID 82799547
3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide
CID 82799441
3-bromo-4-(5-methyl-2-nitrophenoxy)benzenecarboximidamide
CID 82786749
3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide
CID 82799770
3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 82800181
3-bromo-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 82799225
3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide
CID 82799228
2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide
CID 107930880
4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide
CID 81276266

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-methylphenoxy)benzenecarboximidamide?
The IUPAC name of 3-bromo-4-(4-methylphenoxy)benzenecarboximidamide (CID 82799325) is 3-bromo-4-(4-methylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-(4-methylphenoxy)benzenecarboximidamide?
The canonical SMILES for 3-bromo-4-(4-methylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(C)cc2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(4-methylphenoxy)benzenecarboximidamide?
The InChIKey is WUVYNMAPJCZUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-9-2-5-11(6-3-9)18-13-7-4-10(14(16)17)8-12(13)15/h2-8H,1H3,(H3,16,17).
What are the key properties of 3-bromo-4-(4-methylphenoxy)benzenecarboximidamide?
3-bromo-4-(4-methylphenoxy)benzenecarboximidamide has a molecular weight of 305.18 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-methylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 82799325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).