4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide

C11H16N2O2 — CID 81276554

IUPAC4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCOC)cc1C
InChIInChI=1S/C11H16N2O2/c1-8-7-9(15-6-5-14-2)3-4-10(8)11(12)13/h3-4,7H,5-6H2,1-2H3,(H3,12,13)
InChIKeyQEBJQVIOJGEIME-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.30
Rot. Bonds5

About 4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide

4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide (PubChem CID 81276554) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide
PubChem CID81276554
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCOC)cc1C
InChIInChI=1S/C11H16N2O2/c1-8-7-9(15-6-5-14-2)3-4-10(8)11(12)13/h3-4,7H,5-6H2,1-2H3,(H3,12,13)
InChIKeyQEBJQVIOJGEIME-UHFFFAOYSA-N
XLogP1.30
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-cyclopropylethoxy)-2-methylbenzenecarboximidamide
CID 106202035
2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide
CID 113426988
4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide
CID 81276388
4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide
CID 81279372
N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide
CID 81277376
2-methyl-4-(4-propylphenoxy)benzenecarboximidamide
CID 81276494
4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide
CID 81276721
4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide
CID 81268609
4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61299239
4-(3-chloropropoxy)-2-methylbenzamide
CID 68504171
(4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone
CID 67314649
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-2-carboximidamide
CID 104562334

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide?
The IUPAC name of 4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide (CID 81276554) is 4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCOC)cc1C.
What is the InChIKey of 4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide?
The InChIKey is QEBJQVIOJGEIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-7-9(15-6-5-14-2)3-4-10(8)11(12)13/h3-4,7H,5-6H2,1-2H3,(H3,12,13).
What are the key properties of 4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide?
4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide has a molecular weight of 208.26 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide is sourced from PubChem (CID 81276554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).