3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide

C14H13BrN2O2 — CID 82799441

IUPAC3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cccc(OC)c2)c(Br)c1
InChIInChI=1S/C14H13BrN2O2/c1-18-10-3-2-4-11(8-10)19-13-6-5-9(14(16)17)7-12(13)15/h2-8H,1H3,(H3,16,17)
InChIKeyVYBGCOAFMYDVAN-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.53
Rot. Bonds4

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

3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide (PubChem CID 82799441) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide
PubChem CID82799441
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cccc(OC)c2)c(Br)c1
InChIInChI=1S/C14H13BrN2O2/c1-18-10-3-2-4-11(8-10)19-13-6-5-9(14(16)17)7-12(13)15/h2-8H,1H3,(H3,16,17)
InChIKeyVYBGCOAFMYDVAN-UHFFFAOYSA-N
XLogP3.53
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.53
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

3-bromo-4-(4-methylphenoxy)benzenecarboximidamide
CID 82799325
1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone
CID 62909860
3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide
CID 82799447
3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide
CID 82799032
2-(2-bromo-4-methoxyphenoxy)pyridine-4-carboximidamide
CID 104707813
3-bromo-4-(4-methylsulfonylphenoxy)benzenecarboximidamide
CID 82787062
3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide
CID 82799770
2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide
CID 114884034
3-bromo-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 82799225
3-bromo-4-(4-nitrophenoxy)benzenecarboximidamide
CID 82799547
3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide
CID 82799228
4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61299239

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide?
The IUPAC name of 3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide (CID 82799441) is 3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide?
The canonical SMILES for 3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cccc(OC)c2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide?
The InChIKey is VYBGCOAFMYDVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-18-10-3-2-4-11(8-10)19-13-6-5-9(14(16)17)7-12(13)15/h2-8H,1H3,(H3,16,17).
What are the key properties of 3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide?
3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide has a molecular weight of 321.17 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide is sourced from PubChem (CID 82799441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).