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

C15H15N3O3 — CID 107930878

IUPAC5-methyl-2-(2-methyl-4-nitrophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C15H15N3O3/c1-9-3-5-14(12(7-9)15(16)17)21-13-6-4-11(18(19)20)8-10(13)2/h3-8H,1-2H3,(H3,16,17)
InChIKeyAVUFHOFIRDUKJP-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.29
Rot. Bonds4

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

5-methyl-2-(2-methyl-4-nitrophenoxy)benzenecarboximidamide (PubChem CID 107930878) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-methyl-2-(2-methyl-4-nitrophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-methyl-2-(2-methyl-4-nitrophenoxy)benzenecarboximidamide
PubChem CID107930878
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-methyl-2-(2-methyl-4-nitrophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C15H15N3O3/c1-9-3-5-14(12(7-9)15(16)17)21-13-6-4-11(18(19)20)8-10(13)2/h3-8H,1-2H3,(H3,16,17)
InChIKeyAVUFHOFIRDUKJP-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-(4-methyl-2-nitrophenoxy)benzenecarboximidamide
CID 107930807
5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide
CID 107930786
5-bromo-2-(2-chloro-4-nitrophenoxy)benzenecarboximidamide
CID 114893295
2-(2-methyl-4-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551225
2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930844
5-chloro-2-(3-methyl-2-nitrophenoxy)benzenecarboximidamide
CID 62495102
2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930851
1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
CID 101232592
5-bromo-2-(3-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 114893294
2-amino-5-nitrobenzenecarboximidamide
CID 23570805
5-methyl-2-(3-methylphenoxy)benzenecarboximidamide
CID 114017320
5-bromo-2-(3-nitrophenoxy)benzenecarboximidamide
CID 114893291

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methyl-4-nitrophenoxy)benzenecarboximidamide?
The IUPAC name of 5-methyl-2-(2-methyl-4-nitrophenoxy)benzenecarboximidamide (CID 107930878) is 5-methyl-2-(2-methyl-4-nitrophenoxy)benzenecarboximidamide.
What is the SMILES notation for 5-methyl-2-(2-methyl-4-nitrophenoxy)benzenecarboximidamide?
The canonical SMILES for 5-methyl-2-(2-methyl-4-nitrophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1Oc1ccc([N+](=O)[O-])cc1C.
What is the InChIKey of 5-methyl-2-(2-methyl-4-nitrophenoxy)benzenecarboximidamide?
The InChIKey is AVUFHOFIRDUKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-3-5-14(12(7-9)15(16)17)21-13-6-4-11(18(19)20)8-10(13)2/h3-8H,1-2H3,(H3,16,17).
What are the key properties of 5-methyl-2-(2-methyl-4-nitrophenoxy)benzenecarboximidamide?
5-methyl-2-(2-methyl-4-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-(2-methyl-4-nitrophenoxy)benzenecarboximidamide is sourced from PubChem (CID 107930878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).