5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide

C15H15N3O3 — CID 107930807

IUPAC5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-9-3-5-13(11(7-9)15(16)17)21-14-6-4-10(2)8-12(14)18(19)20/h3-8H,1-2H3,(H3,16,17)
InChIKeyHDMIMNMSHSYGJB-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.29
Rot. Bonds4

About 5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide

5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide (PubChem CID 107930807) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide
PubChem CID107930807
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-9-3-5-13(11(7-9)15(16)17)21-14-6-4-10(2)8-12(14)18(19)20/h3-8H,1-2H3,(H3,16,17)
InChIKeyHDMIMNMSHSYGJB-UHFFFAOYSA-N
XLogP3.29
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.29
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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-(2-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 107930878
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide
CID 107930786
3-bromo-4-(5-methyl-2-nitrophenoxy)benzenecarboximidamide
CID 82786749
2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930844
5-bromo-2-(3-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 114893294
2-(4-methyl-2-nitrophenoxy)benzoic acid
CID 61311075
2-(2-chloro-6-nitrophenoxy)-4-methylbenzenecarboximidamide
CID 107717026
2-(3-chloro-4-nitrophenoxy)-4-methylbenzenecarboximidamide
CID 62307325
5-chloro-2-(3-methyl-2-nitrophenoxy)benzenecarboximidamide
CID 62495102
5-methyl-2-(5-methyl-2-nitrophenoxy)benzoic acid
CID 62516355
5-methyl-2-(3-methylphenoxy)benzenecarboximidamide
CID 114017320

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide?
The IUPAC name of 5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide (CID 107930807) is 5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide.
What is the SMILES notation for 5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide?
The canonical SMILES for 5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1Oc1ccc(C)cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide?
The InChIKey is HDMIMNMSHSYGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-3-5-13(11(7-9)15(16)17)21-14-6-4-10(2)8-12(14)18(19)20/h3-8H,1-2H3,(H3,16,17).
What are the key properties of 5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide?
5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide has a molecular weight of 285.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide is sourced from PubChem (CID 107930807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).