N'-hydroxy-2-methyl-4-(N-methylanilino)benzenecarboximidamide

C15H17N3O — CID 81277641

IUPACN'-hydroxy-2-methyl-4-(N-methylanilino)benzenecarboximidamide
SMILESCc1cc(N(C)c2ccccc2)ccc1/C(N)=N/O
InChIInChI=1S/C15H17N3O/c1-11-10-13(8-9-14(11)15(16)17-19)18(2)12-6-4-3-5-7-12/h3-10,19H,1-2H3,(H2,16,17)
InChIKeyNHWWWQMLWLRQNF-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.86
Rot. Bonds3

About N'-hydroxy-2-methyl-4-(N-methylanilino)benzenecarboximidamide

N'-hydroxy-2-methyl-4-(N-methylanilino)benzenecarboximidamide (PubChem CID 81277641) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-4-(N-methylanilino)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-4-(N-methylanilino)benzenecarboximidamide
PubChem CID81277641
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN'-hydroxy-2-methyl-4-(N-methylanilino)benzenecarboximidamide
SMILESCc1cc(N(C)c2ccccc2)ccc1/C(N)=N/O
InChIInChI=1S/C15H17N3O/c1-11-10-13(8-9-14(11)15(16)17-19)18(2)12-6-4-3-5-7-12/h3-10,19H,1-2H3,(H2,16,17)
InChIKeyNHWWWQMLWLRQNF-UHFFFAOYSA-N
XLogP2.86
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.86
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-methyl-4-(N-methylanilino)benzoic acid
CID 62136290
N'-hydroxy-4-[3-hydroxypropyl(methyl)amino]-2-methylbenzenecarboximidamide
CID 114230242
2-bromo-4-(N,2-dimethylanilino)-N'-hydroxybenzenecarboximidamide
CID 107278693
4-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81274312
N'-hydroxy-2-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide
CID 81273309
2-chloro-N'-hydroxy-4-(3-methoxy-N-methylanilino)benzenecarboximidamide
CID 76981432
N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
CID 81278044
2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide
CID 76981453
N'-hydroxy-2-methyl-4-[methyl(thiolan-3-yl)amino]benzenecarboximidamide
CID 81277874
4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81273408
4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277438
4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide
CID 114904027

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-4-(N-methylanilino)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methyl-4-(N-methylanilino)benzenecarboximidamide (CID 81277641) is N'-hydroxy-2-methyl-4-(N-methylanilino)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-4-(N-methylanilino)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methyl-4-(N-methylanilino)benzenecarboximidamide is Cc1cc(N(C)c2ccccc2)ccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-4-(N-methylanilino)benzenecarboximidamide?
The InChIKey is NHWWWQMLWLRQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-10-13(8-9-14(11)15(16)17-19)18(2)12-6-4-3-5-7-12/h3-10,19H,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-methyl-4-(N-methylanilino)benzenecarboximidamide?
N'-hydroxy-2-methyl-4-(N-methylanilino)benzenecarboximidamide has a molecular weight of 255.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-4-(N-methylanilino)benzenecarboximidamide is sourced from PubChem (CID 81277641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).