3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide

C11H15BrN2O — CID 82799228

IUPAC3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC(C)(C)C)c(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-11(2,3)15-9-5-4-7(10(13)14)6-8(9)12/h4-6H,1-3H3,(H3,13,14)
InChIKeyXCIBAZIXOULOBM-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.91
Rot. Bonds2

About 3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide

3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide (PubChem CID 82799228) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide
PubChem CID82799228
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC(C)(C)C)c(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-11(2,3)15-9-5-4-7(10(13)14)6-8(9)12/h4-6H,1-3H3,(H3,13,14)
InChIKeyXCIBAZIXOULOBM-UHFFFAOYSA-N
XLogP2.91
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.91
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-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 82799225
3-bromo-4-(4-methylphenoxy)benzenecarboximidamide
CID 82799325
3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 82800181
3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide
CID 82799447
3-bromo-4-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 82798606
3-bromo-4-[3-(2-bromo-4-ethanimidoylphenoxy)propoxy]benzenecarboximidamide
CID 149249864
3-bromo-4-(3,3,3-trifluoropropoxy)benzenecarboximidamide
CID 82955098
3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide
CID 82799441
3-bromo-4-(4-methylpentoxy)benzenecarboximidamide
CID 82799328
3-bromo-4-(4,4-dimethylcyclohexyl)oxybenzenecarboximidamide
CID 114341188
3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide
CID 106597271
3-bromo-4-(4-methylsulfonylphenoxy)benzenecarboximidamide
CID 82787062

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide?
The IUPAC name of 3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide (CID 82799228) is 3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide?
The canonical SMILES for 3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OC(C)(C)C)c(Br)c1.
What is the InChIKey of 3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide?
The InChIKey is XCIBAZIXOULOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-11(2,3)15-9-5-4-7(10(13)14)6-8(9)12/h4-6H,1-3H3,(H3,13,14).
What are the key properties of 3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide?
3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide has a molecular weight of 271.16 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide is sourced from PubChem (CID 82799228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).