5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide

C14H13N3O3 — CID 107930786

IUPAC5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H13N3O3/c1-9-5-6-13(12(7-9)14(15)16)20-11-4-2-3-10(8-11)17(18)19/h2-8H,1H3,(H3,15,16)
InChIKeyYKRMBMCVZPDKCC-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.98
Rot. Bonds4

About 5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide

5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide (PubChem CID 107930786) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide
PubChem CID107930786
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H13N3O3/c1-9-5-6-13(12(7-9)14(15)16)20-11-4-2-3-10(8-11)17(18)19/h2-8H,1H3,(H3,15,16)
InChIKeyYKRMBMCVZPDKCC-UHFFFAOYSA-N
XLogP2.98
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.98
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-bromo-2-(3-nitrophenoxy)benzenecarboximidamide
CID 114893291
5-methyl-2-(3-methylphenoxy)benzenecarboximidamide
CID 114017320
5-methyl-2-(2-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 107930878
5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide
CID 107930807
2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide
CID 107930685
5-bromo-2-(3-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 114893294
6-(3-nitrophenoxy)pyridine-2-carboximidamide
CID 64593431
2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide
CID 107930737
2-(3-bromo-5-nitrophenoxy)-5-fluorobenzenecarboximidamide
CID 103588737
2-(3-chloro-4-nitrophenoxy)-4-methylbenzenecarboximidamide
CID 62307325
5-chloro-2-(3-methyl-2-nitrophenoxy)benzenecarboximidamide
CID 62495102
2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide
CID 107930831

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide?
The IUPAC name of 5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide (CID 107930786) is 5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide.
What is the SMILES notation for 5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide?
The canonical SMILES for 5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1Oc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide?
The InChIKey is YKRMBMCVZPDKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-5-6-13(12(7-9)14(15)16)20-11-4-2-3-10(8-11)17(18)19/h2-8H,1H3,(H3,15,16).
What are the key properties of 5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide?
5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide has a molecular weight of 271.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide is sourced from PubChem (CID 107930786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).