2-hydroxy-6-methoxy-N'-methylbenzenecarboximidamide

C9H12N2O2 — CID 137209939

IUPAC2-hydroxy-6-methoxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1c(O)cccc1OC
InChIInChI=1S/C9H12N2O2/c1-11-9(10)8-6(12)4-3-5-7(8)13-2/h3-5,12H,1-2H3,(H2,10,11)
InChIKeyLLCXKFWTGGARSP-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.74
Rot. Bonds2

About 2-hydroxy-6-methoxy-N'-methylbenzenecarboximidamide

2-hydroxy-6-methoxy-N'-methylbenzenecarboximidamide (PubChem CID 137209939) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-hydroxy-6-methoxy-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-hydroxy-6-methoxy-N'-methylbenzenecarboximidamide
PubChem CID137209939
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-hydroxy-6-methoxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1c(O)cccc1OC
InChIInChI=1S/C9H12N2O2/c1-11-9(10)8-6(12)4-3-5-7(8)13-2/h3-5,12H,1-2H3,(H2,10,11)
InChIKeyLLCXKFWTGGARSP-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methoxy-N'-methylbenzenecarboximidamide?
The IUPAC name of 2-hydroxy-6-methoxy-N'-methylbenzenecarboximidamide (CID 137209939) is 2-hydroxy-6-methoxy-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 2-hydroxy-6-methoxy-N'-methylbenzenecarboximidamide?
The canonical SMILES for 2-hydroxy-6-methoxy-N'-methylbenzenecarboximidamide is C/N=C(\N)c1c(O)cccc1OC.
What is the InChIKey of 2-hydroxy-6-methoxy-N'-methylbenzenecarboximidamide?
The InChIKey is LLCXKFWTGGARSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11-9(10)8-6(12)4-3-5-7(8)13-2/h3-5,12H,1-2H3,(H2,10,11).
What are the key properties of 2-hydroxy-6-methoxy-N'-methylbenzenecarboximidamide?
2-hydroxy-6-methoxy-N'-methylbenzenecarboximidamide has a molecular weight of 180.21 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methoxy-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 137209939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).