3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide

C16H18N2O2 — CID 76909555

IUPAC3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(COc2cccc(C(N)=NO)c2)cc1C
InChIInChI=1S/C16H18N2O2/c1-11-6-7-13(8-12(11)2)10-20-15-5-3-4-14(9-15)16(17)18-19/h3-9,19H,10H2,1-2H3,(H2,17,18)
InChIKeyGMLSDSWINIWRHR-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.98
Rot. Bonds4

About 3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide

3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 76909555) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID76909555
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(COc2cccc(C(N)=NO)c2)cc1C
InChIInChI=1S/C16H18N2O2/c1-11-6-7-13(8-12(11)2)10-20-15-5-3-4-14(9-15)16(17)18-19/h3-9,19H,10H2,1-2H3,(H2,17,18)
InChIKeyGMLSDSWINIWRHR-UHFFFAOYSA-N
XLogP2.98
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.98
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

3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24702087
N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide
CID 24699055
3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 77022763
3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43185939
3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403778
N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646208
N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide
CID 24698660
4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene
CID 64764553
3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide
CID 77066586
N'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide
CID 141009945
(1R)-1-[3-[(3,4-dimethylphenyl)methoxy]phenyl]ethanol
CID 55190777
3-(3,3-dimethylbutoxy)-N'-hydroxybenzenecarboximidamide
CID 109374361

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide (CID 76909555) is 3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide is Cc1ccc(COc2cccc(C(N)=NO)c2)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is GMLSDSWINIWRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-6-7-13(8-12(11)2)10-20-15-5-3-4-14(9-15)16(17)18-19/h3-9,19H,10H2,1-2H3,(H2,17,18).
What are the key properties of 3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 270.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76909555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).