2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide

C8H11N3O2 — CID 83385991

IUPAC2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(N)c1
InChIInChI=1S/C8H11N3O2/c1-13-5-2-3-6(7(9)4-5)8(10)11-12/h2-4,12H,9H2,1H3,(H2,10,11)
InChIKeyLSBHYUFNTPNCLR-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.37
Rot. Bonds2

About 2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide

2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide (PubChem CID 83385991) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide
PubChem CID83385991
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(N)c1
InChIInChI=1S/C8H11N3O2/c1-13-5-2-3-6(7(9)4-5)8(10)11-12/h2-4,12H,9H2,1H3,(H2,10,11)
InChIKeyLSBHYUFNTPNCLR-UHFFFAOYSA-N
XLogP0.37
TPSA93.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-amino-1-(2-amino-4-methoxyphenyl)ethanone
CID 105438694
N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide
CID 81277967
2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81297165
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-[(Z)-1-aminoprop-1-en-2-yl]-5-methoxyaniline;ethane
CID 163274592
(E)-2-amino-1-(2-amino-4-methoxyphenyl)-3-hydroxyprop-2-en-1-one
CID 156713473
2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81303583
N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
CID 81303944
4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide
CID 104707751
2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide
CID 76981453
1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone
CID 45117929

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide (CID 83385991) is 2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide is COc1ccc(/C(N)=N/O)c(N)c1.
What is the InChIKey of 2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide?
The InChIKey is LSBHYUFNTPNCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-13-5-2-3-6(7(9)4-5)8(10)11-12/h2-4,12H,9H2,1H3,(H2,10,11).
What are the key properties of 2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide?
2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide has a molecular weight of 181.19 g/mol, XLogP of 0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 83385991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).