2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide

C13H20N2O3 — CID 113426988

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1OCCOCCOC
InChIInChI=1S/C13H20N2O3/c1-10-3-4-11(13(14)15)12(9-10)18-8-7-17-6-5-16-2/h3-4,9H,5-8H2,1-2H3,(H3,14,15)
InChIKeyKMKOLXYARMKJTK-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.32
Rot. Bonds8

About 2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide

2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide (PubChem CID 113426988) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide
PubChem CID113426988
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1OCCOCCOC
InChIInChI=1S/C13H20N2O3/c1-10-3-4-11(13(14)15)12(9-10)18-8-7-17-6-5-16-2/h3-4,9H,5-8H2,1-2H3,(H3,14,15)
InChIKeyKMKOLXYARMKJTK-UHFFFAOYSA-N
XLogP1.32
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250746
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 104562366
4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide
CID 81276554
4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
CID 62308690
4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide
CID 62306797
2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide
CID 62307304
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene
CID 146179403
2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684381
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
3-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide
CID 113426979

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide (CID 113426988) is 2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1OCCOCCOC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide?
The InChIKey is KMKOLXYARMKJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-3-4-11(13(14)15)12(9-10)18-8-7-17-6-5-16-2/h3-4,9H,5-8H2,1-2H3,(H3,14,15).
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide?
2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide has a molecular weight of 252.31 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide is sourced from PubChem (CID 113426988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).