2,4-dimethoxybenzenecarboximidamide

C9H12N2O2 — CID 4138242

IUPAC2,4-dimethoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1OC
InChIInChI=1S/C9H12N2O2/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H3,10,11)
InChIKeyOHDVRMGJIHLLMB-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.99
Rot. Bonds3

About 2,4-dimethoxybenzenecarboximidamide

2,4-dimethoxybenzenecarboximidamide (PubChem CID 4138242) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2,4-dimethoxybenzenecarboximidamide.

Molecular Properties

Compound Name2,4-dimethoxybenzenecarboximidamide
PubChem CID4138242
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2,4-dimethoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1OC
InChIInChI=1S/C9H12N2O2/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H3,10,11)
InChIKeyOHDVRMGJIHLLMB-UHFFFAOYSA-N
XLogP0.99
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.99
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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Related Compounds

2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
4-methoxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 81302853
4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250754
4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 81300051
4-methoxy-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 81299836
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
ethyl 2,4-dimethoxybenzenecarboximidate;hydrochloride
CID 22721088
4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 106665854
4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
CID 81302635
2-(2,4-dichlorophenoxy)-4-methoxybenzenecarboximidamide
CID 81302946
4-methoxy-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 81303141

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxybenzenecarboximidamide?
The IUPAC name of 2,4-dimethoxybenzenecarboximidamide (CID 4138242) is 2,4-dimethoxybenzenecarboximidamide.
What is the SMILES notation for 2,4-dimethoxybenzenecarboximidamide?
The canonical SMILES for 2,4-dimethoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1OC.
What is the InChIKey of 2,4-dimethoxybenzenecarboximidamide?
The InChIKey is OHDVRMGJIHLLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H3,10,11).
What are the key properties of 2,4-dimethoxybenzenecarboximidamide?
2,4-dimethoxybenzenecarboximidamide has a molecular weight of 180.21 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxybenzenecarboximidamide is sourced from PubChem (CID 4138242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).