4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide

C15H15BrN2O2 — CID 83141030

IUPAC4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(OCc2ccc(/C(N)=N/O)cc2)ccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-10-8-13(6-7-14(10)16)20-9-11-2-4-12(5-3-11)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyUWPYXAAHJNMFPM-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.43
Rot. Bonds4

About 4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide

4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 83141030) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID83141030
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(OCc2ccc(/C(N)=N/O)cc2)ccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-10-8-13(6-7-14(10)16)20-9-11-2-4-12(5-3-11)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyUWPYXAAHJNMFPM-UHFFFAOYSA-N
XLogP3.43
TPSA67.84 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 ≤ 53.43
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(4-bromo-3-methylphenoxy)methyl]benzamide
CID 81300987
4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 24690580
4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 61028751
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
CID 81278044
4-[(5-bromo-3-pyridinyl)oxymethyl]-N'-hydroxybenzenecarboximidamide
CID 77022595
1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene
CID 83134055
4-[(4-bromo-3-methylphenyl)methoxy]phenol
CID 69115875
2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107279022
3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76909555
N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide
CID 102881387
3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43185939

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide (CID 83141030) is 4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide is Cc1cc(OCc2ccc(/C(N)=N/O)cc2)ccc1Br.
What is the InChIKey of 4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is UWPYXAAHJNMFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10-8-13(6-7-14(10)16)20-9-11-2-4-12(5-3-11)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18).
What are the key properties of 4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 335.20 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 83141030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).