N,2,4-trimethyl-6-nitroaniline

C9H12N2O2 — CID 10583519

IUPACN,2,4-trimethyl-6-nitroaniline
SMILESCNc1c(C)cc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C9H12N2O2/c1-6-4-7(2)9(10-3)8(5-6)11(12)13/h4-5,10H,1-3H3
InChIKeyLGBORVMVRWWYMO-UHFFFAOYSA-N
MW180.21 g/mol
LogP2.25
Rot. Bonds2

About N,2,4-trimethyl-6-nitroaniline

N,2,4-trimethyl-6-nitroaniline (PubChem CID 10583519) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N,2,4-trimethyl-6-nitroaniline.

Molecular Properties

Compound NameN,2,4-trimethyl-6-nitroaniline
PubChem CID10583519
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN,2,4-trimethyl-6-nitroaniline
SMILESCNc1c(C)cc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C9H12N2O2/c1-6-4-7(2)9(10-3)8(5-6)11(12)13/h4-5,10H,1-3H3
InChIKeyLGBORVMVRWWYMO-UHFFFAOYSA-N
XLogP2.25
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-chloro-N,4-dimethyl-6-nitroaniline
CID 21161522
N-(2,4-dimethyl-6-nitrophenyl)propanamide
CID 66522913
N,2,6-trimethyl-3-nitroaniline
CID 126991962
sodium 4-methyl-2,6-dinitrophenolate
CID 102438433
2,4-dimethyl-6-nitrobenzoic acid
CID 53416170
4-(methylamino)-3,5-dinitrobenzoic acid
CID 3533426
3-bromo-N-(2,4-dimethyl-6-nitrophenyl)benzamide
CID 2940333
(2R)-N-methyl-2-(4-methyl-2,6-dinitroanilino)propanethioamide
CID 154294390
N-(4-bromo-2-nitrophenyl)-2,4,6-trimethylaniline
CID 63462521
ethane;N-methyl-2-(4-methyl-2,6-dinitroanilino)propanamide
CID 165340031
1,4-dimethyl-2-nitrobenzene
CID 20849377
N,4-dimethyl-2-nitroaniline;molecular hydrogen
CID 157192400

Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-6-nitroaniline?
The IUPAC name of N,2,4-trimethyl-6-nitroaniline (CID 10583519) is N,2,4-trimethyl-6-nitroaniline.
What is the SMILES notation for N,2,4-trimethyl-6-nitroaniline?
The canonical SMILES for N,2,4-trimethyl-6-nitroaniline is CNc1c(C)cc(C)cc1[N+](=O)[O-].
What is the InChIKey of N,2,4-trimethyl-6-nitroaniline?
The InChIKey is LGBORVMVRWWYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-4-7(2)9(10-3)8(5-6)11(12)13/h4-5,10H,1-3H3.
What are the key properties of N,2,4-trimethyl-6-nitroaniline?
N,2,4-trimethyl-6-nitroaniline has a molecular weight of 180.21 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-6-nitroaniline is sourced from PubChem (CID 10583519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).