4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide

C16H18N2O — CID 81276388

IUPAC4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(C)cc(C)c2)cc1C
InChIInChI=1S/C16H18N2O/c1-10-6-11(2)8-14(7-10)19-13-4-5-15(16(17)18)12(3)9-13/h4-9H,1-3H3,(H3,17,18)
InChIKeyKWWCUUKEEGMSKA-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.69
Rot. Bonds3

About 4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide

4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide (PubChem CID 81276388) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide
PubChem CID81276388
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(C)cc(C)c2)cc1C
InChIInChI=1S/C16H18N2O/c1-10-6-11(2)8-14(7-10)19-13-4-5-15(16(17)18)12(3)9-13/h4-9H,1-3H3,(H3,17,18)
InChIKeyKWWCUUKEEGMSKA-UHFFFAOYSA-N
XLogP3.69
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methyl-4-(4-propylphenoxy)benzenecarboximidamide
CID 81276494
4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide
CID 81276721
2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
CID 107724642
2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 81269066
4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide
CID 81268609
4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide
CID 81276266
4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide
CID 81276554
2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide
CID 107279532
4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide
CID 83140790
4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide
CID 114673658
4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
CID 107724678
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide?
The IUPAC name of 4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide (CID 81276388) is 4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cc(C)cc(C)c2)cc1C.
What is the InChIKey of 4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide?
The InChIKey is KWWCUUKEEGMSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-10-6-11(2)8-14(7-10)19-13-4-5-15(16(17)18)12(3)9-13/h4-9H,1-3H3,(H3,17,18).
What are the key properties of 4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide?
4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide has a molecular weight of 254.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide is sourced from PubChem (CID 81276388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).