2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide

C15H15BrN2O2 — CID 107930251

IUPAC2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(OCc2ccccc2Br)c(/C(N)=N/O)c1
InChIInChI=1S/C15H15BrN2O2/c1-10-6-7-14(12(8-10)15(17)18-19)20-9-11-4-2-3-5-13(11)16/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyPIXLIVKYOQYTCC-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.43
Rot. Bonds4

About 2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide

2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide (PubChem CID 107930251) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide
PubChem CID107930251
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(OCc2ccccc2Br)c(/C(N)=N/O)c1
InChIInChI=1S/C15H15BrN2O2/c1-10-6-7-14(12(8-10)15(17)18-19)20-9-11-4-2-3-5-13(11)16/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyPIXLIVKYOQYTCC-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

2-[(2-bromo-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43200113
2-[(2-bromophenyl)methoxy]-5-chloro-N'-hydroxybenzenecarboximidamide
CID 82824507
3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656922
N'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
CID 24704473
[2-[(2-bromophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322646
2-[(2-bromophenyl)methoxy]-4-methylaniline
CID 24691550
2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24692111
2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930175
2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 107117672
2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930246
5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 83136108
N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide
CID 107930097

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide?
The IUPAC name of 2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide (CID 107930251) is 2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide is Cc1ccc(OCc2ccccc2Br)c(/C(N)=N/O)c1.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide?
The InChIKey is PIXLIVKYOQYTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10-6-7-14(12(8-10)15(17)18-19)20-9-11-4-2-3-5-13(11)16/h2-8,19H,9H2,1H3,(H2,17,18).
What are the key properties of 2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide?
2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide 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 2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).