N-methyl-4-nitro-2-phenoxyaniline

C13H12N2O3 — CID 149465718

IUPACN-methyl-4-nitro-2-phenoxyaniline
SMILESCNc1ccc([N+](=O)[O-])cc1Oc1ccccc1
InChIInChI=1S/C13H12N2O3/c1-14-12-8-7-10(15(16)17)9-13(12)18-11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyZAJORBRPIZYSLC-UHFFFAOYSA-N
MW244.25 g/mol
LogP3.43
Rot. Bonds4

About N-methyl-4-nitro-2-phenoxyaniline

N-methyl-4-nitro-2-phenoxyaniline (PubChem CID 149465718) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-methyl-4-nitro-2-phenoxyaniline.

Molecular Properties

Compound NameN-methyl-4-nitro-2-phenoxyaniline
PubChem CID149465718
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC NameN-methyl-4-nitro-2-phenoxyaniline
SMILESCNc1ccc([N+](=O)[O-])cc1Oc1ccccc1
InChIInChI=1S/C13H12N2O3/c1-14-12-8-7-10(15(16)17)9-13(12)18-11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyZAJORBRPIZYSLC-UHFFFAOYSA-N
XLogP3.43
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

potassium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
CID 23696305
N-(4-nitro-2-phenoxyphenyl)sulfamoyl iodide
CID 142985344
[2-((1,2,3,4,5,6-13C6)cyclohexatrienyloxy)-4-nitrophenyl]-phenylmethanone
CID 71751591
2-acetyloxybenzoic acid;N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
CID 11329271
4-nitro-1-phenoxy-2-phenylmethoxybenzene
CID 139434061
azanide;methylsulfonyl-(4-nitro-2-phenoxyphenyl)azanide;platinum
CID 153281757
5-nitro-2-phenoxybenzoyl chloride
CID 21406549
2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol
CID 15326147
2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15326148
4-(5-nitro-2-phenylphenoxy)phenol
CID 70376187
3-(5-nitro-2-phenoxyphenyl)-2-oxopropanoic acid
CID 134869534
2,4-dinitro-N-(2-phenoxyphenyl)benzamide
CID 4693634

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-nitro-2-phenoxyaniline?
The IUPAC name of N-methyl-4-nitro-2-phenoxyaniline (CID 149465718) is N-methyl-4-nitro-2-phenoxyaniline.
What is the SMILES notation for N-methyl-4-nitro-2-phenoxyaniline?
The canonical SMILES for N-methyl-4-nitro-2-phenoxyaniline is CNc1ccc([N+](=O)[O-])cc1Oc1ccccc1.
What is the InChIKey of N-methyl-4-nitro-2-phenoxyaniline?
The InChIKey is ZAJORBRPIZYSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-14-12-8-7-10(15(16)17)9-13(12)18-11-5-3-2-4-6-11/h2-9,14H,1H3.
What are the key properties of N-methyl-4-nitro-2-phenoxyaniline?
N-methyl-4-nitro-2-phenoxyaniline has a molecular weight of 244.25 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-nitro-2-phenoxyaniline is sourced from PubChem (CID 149465718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).