N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide

C9H12N2O2 — CID 88561585

IUPACN'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
SMILESCOc1c(C)cccc1/C(N)=N/O
InChIInChI=1S/C9H12N2O2/c1-6-4-3-5-7(8(6)13-2)9(10)11-12/h3-5,12H,1-2H3,(H2,10,11)
InChIKeyOWMVSNYJHPYZAH-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.10
Rot. Bonds2

About N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide

N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide (PubChem CID 88561585) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
PubChem CID88561585
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
SMILESCOc1c(C)cccc1/C(N)=N/O
InChIInChI=1S/C9H12N2O2/c1-6-4-3-5-7(8(6)13-2)9(10)11-12/h3-5,12H,1-2H3,(H2,10,11)
InChIKeyOWMVSNYJHPYZAH-UHFFFAOYSA-N
XLogP1.10
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.10
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-(2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200038
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109913
2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109701
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide
CID 107109785
N'-hydroxy-2-methoxy-3-nitrobenzenecarboximidamide
CID 134574788
2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109614
N'-hydroxy-3-methyl-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 107109802
N'-hydroxy-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 107109864
N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide
CID 43140206
2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109832
2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109715
2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200034

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide (CID 88561585) is N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide is COc1c(C)cccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide?
The InChIKey is OWMVSNYJHPYZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-4-3-5-7(8(6)13-2)9(10)11-12/h3-5,12H,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide?
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide has a molecular weight of 180.21 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 88561585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).