N'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide

C16H19N3O2 — CID 76979496

IUPACN'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
SMILESCOc1ccccc1CN(C)c1cccc(C(N)=NO)c1
InChIInChI=1S/C16H19N3O2/c1-19(11-13-6-3-4-9-15(13)21-2)14-8-5-7-12(10-14)16(17)18-20/h3-10,20H,11H2,1-2H3,(H2,17,18)
InChIKeySOKYKZMMKRFJRT-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.43
Rot. Bonds5

About N'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide

N'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide (PubChem CID 76979496) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
PubChem CID76979496
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
SMILESCOc1ccccc1CN(C)c1cccc(C(N)=NO)c1
InChIInChI=1S/C16H19N3O2/c1-19(11-13-6-3-4-9-15(13)21-2)14-8-5-7-12(10-14)16(17)18-20/h3-10,20H,11H2,1-2H3,(H2,17,18)
InChIKeySOKYKZMMKRFJRT-UHFFFAOYSA-N
XLogP2.43
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
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'}

Analyze N'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76979490
4-[(2-methoxyphenyl)methyl-methylamino]benzenecarbothioamide
CID 61418085
N'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide
CID 76979492
N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide
CID 103409993
2-amino-5-[(2-methoxyphenyl)methyl-methylamino]benzonitrile
CID 115499202
N'-hydroxy-3-[methyl(4-methylpentyl)amino]benzenecarboximidamide
CID 83156187
4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline
CID 115366747
1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone
CID 104612473
3-[(N,3-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116550
3-[methyl-[(2-methylphenyl)methyl]amino]benzenecarbothioamide
CID 62971238
N'-hydroxy-4-[(2-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76917582
5-fluoro-2-[(3-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 76994464

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide (CID 76979496) is N'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide is COc1ccccc1CN(C)c1cccc(C(N)=NO)c1.
What is the InChIKey of N'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide?
The InChIKey is SOKYKZMMKRFJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19(11-13-6-3-4-9-15(13)21-2)14-8-5-7-12(10-14)16(17)18-20/h3-10,20H,11H2,1-2H3,(H2,17,18).
What are the key properties of N'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide?
N'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide has a molecular weight of 285.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 76979496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).