N'-hydroxy-3-[[2-(methoxymethyl)anilino]methyl]benzenecarboximidamide

C16H19N3O2 — CID 77031477

IUPACN'-hydroxy-3-[[2-(methoxymethyl)anilino]methyl]benzenecarboximidamide
SMILESCOCc1ccccc1NCc1cccc(C(N)=NO)c1
InChIInChI=1S/C16H19N3O2/c1-21-11-14-6-2-3-8-15(14)18-10-12-5-4-7-13(9-12)16(17)19-20/h2-9,18,20H,10-11H2,1H3,(H2,17,19)
InChIKeyVCLOJYAGTVGMNX-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.54
Rot. Bonds6

About N'-hydroxy-3-[[2-(methoxymethyl)anilino]methyl]benzenecarboximidamide

N'-hydroxy-3-[[2-(methoxymethyl)anilino]methyl]benzenecarboximidamide (PubChem CID 77031477) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N'-hydroxy-3-[[2-(methoxymethyl)anilino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[2-(methoxymethyl)anilino]methyl]benzenecarboximidamide
PubChem CID77031477
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN'-hydroxy-3-[[2-(methoxymethyl)anilino]methyl]benzenecarboximidamide
SMILESCOCc1ccccc1NCc1cccc(C(N)=NO)c1
InChIInChI=1S/C16H19N3O2/c1-21-11-14-6-2-3-8-15(14)18-10-12-5-4-7-13(9-12)16(17)19-20/h2-9,18,20H,10-11H2,1H3,(H2,17,19)
InChIKeyVCLOJYAGTVGMNX-UHFFFAOYSA-N
XLogP2.54
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N'-hydroxy-3-[[3-(methoxymethyl)anilino]methyl]benzenecarboximidamide
CID 77031597
N'-hydroxy-3-[(2-methylsulfanylanilino)methyl]benzenecarboximidamide
CID 107645067
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
3-[(2-chloro-5-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 107635860
N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 60874269
N'-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]benzenecarboximidamide
CID 77028839
3-[(5-fluoro-2-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77029984
N'-hydroxy-3-(propylaminomethyl)benzenecarboximidamide
CID 77028524
3-[(2,2-dimethylpropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77032714
2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 102847288
N'-hydroxy-3-[[(2-hydroxy-2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 77056345
3-[(4-bromo-2,6-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77029133

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[2-(methoxymethyl)anilino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[[2-(methoxymethyl)anilino]methyl]benzenecarboximidamide (CID 77031477) is N'-hydroxy-3-[[2-(methoxymethyl)anilino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[[2-(methoxymethyl)anilino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[[2-(methoxymethyl)anilino]methyl]benzenecarboximidamide is COCc1ccccc1NCc1cccc(C(N)=NO)c1.
What is the InChIKey of N'-hydroxy-3-[[2-(methoxymethyl)anilino]methyl]benzenecarboximidamide?
The InChIKey is VCLOJYAGTVGMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-11-14-6-2-3-8-15(14)18-10-12-5-4-7-13(9-12)16(17)19-20/h2-9,18,20H,10-11H2,1H3,(H2,17,19).
What are the key properties of N'-hydroxy-3-[[2-(methoxymethyl)anilino]methyl]benzenecarboximidamide?
N'-hydroxy-3-[[2-(methoxymethyl)anilino]methyl]benzenecarboximidamide has a molecular weight of 285.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[2-(methoxymethyl)anilino]methyl]benzenecarboximidamide is sourced from PubChem (CID 77031477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).