2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide

C16H18N2O2 — CID 107930140

IUPAC2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(Oc2cccc(C)c2C)c(/C(N)=N/O)c1
InChIInChI=1S/C16H18N2O2/c1-10-7-8-15(13(9-10)16(17)18-19)20-14-6-4-5-11(2)12(14)3/h4-9,19H,1-3H3,(H2,17,18)
InChIKeyRJYIOFCRDRQYTN-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.50
Rot. Bonds3

About 2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide

2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide (PubChem CID 107930140) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
PubChem CID107930140
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(Oc2cccc(C)c2C)c(/C(N)=N/O)c1
InChIInChI=1S/C16H18N2O2/c1-10-7-8-15(13(9-10)16(17)18-19)20-14-6-4-5-11(2)12(14)3/h4-9,19H,1-3H3,(H2,17,18)
InChIKeyRJYIOFCRDRQYTN-UHFFFAOYSA-N
XLogP3.50
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.50
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

5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892727
2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930089
N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide
CID 107930097
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131
5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide
CID 77004548
2-(2-chloro-4-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004117
4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188261
5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 76953392
2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930220
1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene
CID 19792455
2-(2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200038
2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930175

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide (CID 107930140) is 2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide is Cc1ccc(Oc2cccc(C)c2C)c(/C(N)=N/O)c1.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
The InChIKey is RJYIOFCRDRQYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-7-8-15(13(9-10)16(17)18-19)20-14-6-4-5-11(2)12(14)3/h4-9,19H,1-3H3,(H2,17,18).
What are the key properties of 2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide has a molecular weight of 270.33 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).