4-methyl-3-(2-methyl-6-nitrophenyl)aniline

C14H14N2O2 — CID 100971309

IUPAC4-methyl-3-(2-methyl-6-nitrophenyl)aniline
SMILESCc1ccc(N)cc1-c1c(C)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H14N2O2/c1-9-6-7-11(15)8-12(9)14-10(2)4-3-5-13(14)16(17)18/h3-8H,15H2,1-2H3
InChIKeyGPCNAAZOVVGVFJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.46
Rot. Bonds2

About 4-methyl-3-(2-methyl-6-nitrophenyl)aniline

4-methyl-3-(2-methyl-6-nitrophenyl)aniline (PubChem CID 100971309) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-methyl-3-(2-methyl-6-nitrophenyl)aniline.

Molecular Properties

Compound Name4-methyl-3-(2-methyl-6-nitrophenyl)aniline
PubChem CID100971309
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-methyl-3-(2-methyl-6-nitrophenyl)aniline
SMILESCc1ccc(N)cc1-c1c(C)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H14N2O2/c1-9-6-7-11(15)8-12(9)14-10(2)4-3-5-13(14)16(17)18/h3-8H,15H2,1-2H3
InChIKeyGPCNAAZOVVGVFJ-UHFFFAOYSA-N
XLogP3.46
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-3-(2-methyl-6-nitrophenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-nitro-2-phenylbenzene
CID 12733092
4-methyl-3-(2,3,4,5,6-pentamethylphenyl)aniline
CID 63334858
2-(4-chlorophenyl)-1-methyl-3-nitrobenzene
CID 139898701
3-methyl-6-nitrobenzene-1,2-diamine
CID 54544550
5-(2-methyl-6-nitrophenyl)-3-(2,4,6-trimethylphenyl)-1,2-oxazole
CID 71497917
1-methyl-2,3-dinitrobenzene;1,2,3-trinitrobenzene
CID 19080539
1-methyl-2,3-dinitrobenzene;hydrate
CID 86587264
2-(3-aminophenyl)-6-nitrophenol;hydrobromide
CID 69006679
2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine
CID 67152544
3-nitro-4-phenylaniline
CID 19386766
1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene
CID 23565474
3-(2-methyl-6-nitrophenyl)-4,5-dihydro-1,2-oxazole
CID 11074534

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methyl-6-nitrophenyl)aniline?
The IUPAC name of 4-methyl-3-(2-methyl-6-nitrophenyl)aniline (CID 100971309) is 4-methyl-3-(2-methyl-6-nitrophenyl)aniline.
What is the SMILES notation for 4-methyl-3-(2-methyl-6-nitrophenyl)aniline?
The canonical SMILES for 4-methyl-3-(2-methyl-6-nitrophenyl)aniline is Cc1ccc(N)cc1-c1c(C)cccc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-(2-methyl-6-nitrophenyl)aniline?
The InChIKey is GPCNAAZOVVGVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-6-7-11(15)8-12(9)14-10(2)4-3-5-13(14)16(17)18/h3-8H,15H2,1-2H3.
What are the key properties of 4-methyl-3-(2-methyl-6-nitrophenyl)aniline?
4-methyl-3-(2-methyl-6-nitrophenyl)aniline has a molecular weight of 242.28 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methyl-6-nitrophenyl)aniline is sourced from PubChem (CID 100971309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).