2,6-dichloro-4-nitro-N-propan-2-ylaniline

C9H10Cl2N2O2 — CID 13358260

IUPAC2,6-dichloro-4-nitro-N-propan-2-ylaniline
SMILESCC(C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H10Cl2N2O2/c1-5(2)12-9-7(10)3-6(13(14)15)4-8(9)11/h3-5,12H,1-2H3
InChIKeyKBPHJTKTSSMTCS-UHFFFAOYSA-N
MW249.10 g/mol
LogP3.72
Rot. Bonds3

About 2,6-dichloro-4-nitro-N-propan-2-ylaniline

2,6-dichloro-4-nitro-N-propan-2-ylaniline (PubChem CID 13358260) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 2,6-dichloro-4-nitro-N-propan-2-ylaniline.

Molecular Properties

Compound Name2,6-dichloro-4-nitro-N-propan-2-ylaniline
PubChem CID13358260
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Name2,6-dichloro-4-nitro-N-propan-2-ylaniline
SMILESCC(C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H10Cl2N2O2/c1-5(2)12-9-7(10)3-6(13(14)15)4-8(9)11/h3-5,12H,1-2H3
InChIKeyKBPHJTKTSSMTCS-UHFFFAOYSA-N
XLogP3.72
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 53.72
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

2,6-dichloro-N-(1-cyclopentylethyl)-4-nitroaniline
CID 106891570
3-(2,6-dichloro-4-nitroanilino)butanamide
CID 104917716
2,6-dichloro-4-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 106891428
2,6-dichloro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline
CID 106891498
2,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-4-nitroaniline
CID 106891698
2,6-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-nitroaniline
CID 106891621
2,6-dichloro-N-hex-5-yn-3-yl-4-nitroaniline
CID 106891685
3-(2,6-dichloro-4-nitroanilino)pentanoic acid
CID 106891196
3-chloro-2-(3-methylbutan-2-ylamino)-5-nitrobenzoic acid
CID 107190010
2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide
CID 106891666
2,6-dichloro-N-(1-methoxypentan-2-yl)-4-nitroaniline
CID 106891579
2,6-dichloro-N-(2-ethylbutyl)-4-nitroaniline
CID 106891704

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-nitro-N-propan-2-ylaniline?
The IUPAC name of 2,6-dichloro-4-nitro-N-propan-2-ylaniline (CID 13358260) is 2,6-dichloro-4-nitro-N-propan-2-ylaniline.
What is the SMILES notation for 2,6-dichloro-4-nitro-N-propan-2-ylaniline?
The canonical SMILES for 2,6-dichloro-4-nitro-N-propan-2-ylaniline is CC(C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2,6-dichloro-4-nitro-N-propan-2-ylaniline?
The InChIKey is KBPHJTKTSSMTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c1-5(2)12-9-7(10)3-6(13(14)15)4-8(9)11/h3-5,12H,1-2H3.
What are the key properties of 2,6-dichloro-4-nitro-N-propan-2-ylaniline?
2,6-dichloro-4-nitro-N-propan-2-ylaniline has a molecular weight of 249.10 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-nitro-N-propan-2-ylaniline is sourced from PubChem (CID 13358260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).