4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide

C16H18N2O3 — CID 81268609

IUPAC4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2c(OC)cccc2OC)cc1C
InChIInChI=1S/C16H18N2O3/c1-10-9-11(7-8-12(10)16(17)18)21-15-13(19-2)5-4-6-14(15)20-3/h4-9H,1-3H3,(H3,17,18)
InChIKeyONEVQOUIMSBNIX-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.09
Rot. Bonds5

About 4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide

4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide (PubChem CID 81268609) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide
PubChem CID81268609
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2c(OC)cccc2OC)cc1C
InChIInChI=1S/C16H18N2O3/c1-10-9-11(7-8-12(10)16(17)18)21-15-13(19-2)5-4-6-14(15)20-3/h4-9H,1-3H3,(H3,17,18)
InChIKeyONEVQOUIMSBNIX-UHFFFAOYSA-N
XLogP3.09
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid
CID 62136478
4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide
CID 81276721
4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide
CID 81276388
4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide
CID 81276266
2,4-dimethoxybenzenecarboximidamide
CID 4138242
2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 81269066
4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide
CID 81276554
2-methyl-4-(4-propylphenoxy)benzenecarboximidamide
CID 81276494
4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide
CID 114673658
2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
CID 107724642
2-ethoxy-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240558
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide?
The IUPAC name of 4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide (CID 81268609) is 4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2c(OC)cccc2OC)cc1C.
What is the InChIKey of 4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide?
The InChIKey is ONEVQOUIMSBNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-9-11(7-8-12(10)16(17)18)21-15-13(19-2)5-4-6-14(15)20-3/h4-9H,1-3H3,(H3,17,18).
What are the key properties of 4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide?
4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide has a molecular weight of 286.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide is sourced from PubChem (CID 81268609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).