2-N-(2,6-dichloro-4-nitrophenyl)-2,4-dimethylpentane-1,2-diamine

C13H19Cl2N3O2 — CID 106891864

IUPAC2-N-(2,6-dichloro-4-nitrophenyl)-2,4-dimethylpentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H19Cl2N3O2/c1-8(2)6-13(3,7-16)17-12-10(14)4-9(18(19)20)5-11(12)15/h4-5,8,17H,6-7,16H2,1-3H3
InChIKeyLXTPTULPQMCLGA-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.08
Rot. Bonds6

About 2-N-(2,6-dichloro-4-nitrophenyl)-2,4-dimethylpentane-1,2-diamine

2-N-(2,6-dichloro-4-nitrophenyl)-2,4-dimethylpentane-1,2-diamine (PubChem CID 106891864) has the molecular formula C13H19Cl2N3O2 and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-N-(2,6-dichloro-4-nitrophenyl)-2,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,6-dichloro-4-nitrophenyl)-2,4-dimethylpentane-1,2-diamine
PubChem CID106891864
Molecular FormulaC13H19Cl2N3O2
Molecular Weight320.22 g/mol
Exact Mass319.09
IUPAC Name2-N-(2,6-dichloro-4-nitrophenyl)-2,4-dimethylpentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H19Cl2N3O2/c1-8(2)6-13(3,7-16)17-12-10(14)4-9(18(19)20)5-11(12)15/h4-5,8,17H,6-7,16H2,1-3H3
InChIKeyLXTPTULPQMCLGA-UHFFFAOYSA-N
XLogP4.08
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.08
H-Bond Donors ≤ 52
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

2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitrobenzamide
CID 115310146
2-N-(3-bromo-5-nitro-4-pyridinyl)-2,4-dimethylpentane-1,2-diamine
CID 103519678
2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide
CID 115310264
2,6-dichloro-4-nitro-N-propan-2-ylaniline
CID 13358260
N-(1-amino-2,4-dimethylpentan-2-yl)-4-nitrobenzenesulfonamide
CID 86814096
2-N-(4-fluoro-2-nitrophenyl)-2,4-dimethylpentane-1,2-diamine
CID 115310095
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methoxy-5-nitrobenzenesulfonamide
CID 119985029
N-(1-amino-2,4-dimethylpentan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide
CID 81485800
2-(2,6-dichloro-4-nitroanilino)-2-ethylbutan-1-ol
CID 106891538
2,6-dichloro-N-(2-ethylbutyl)-4-nitroaniline
CID 106891704
2,4-dimethyl-2-N-(2-nitro-3-pyridinyl)pentane-1,2-diamine
CID 104540937
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-5-nitrobenzamide
CID 115309751

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dichloro-4-nitrophenyl)-2,4-dimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(2,6-dichloro-4-nitrophenyl)-2,4-dimethylpentane-1,2-diamine (CID 106891864) is 2-N-(2,6-dichloro-4-nitrophenyl)-2,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(2,6-dichloro-4-nitrophenyl)-2,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(2,6-dichloro-4-nitrophenyl)-2,4-dimethylpentane-1,2-diamine is CC(C)CC(C)(CN)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-N-(2,6-dichloro-4-nitrophenyl)-2,4-dimethylpentane-1,2-diamine?
The InChIKey is LXTPTULPQMCLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O2/c1-8(2)6-13(3,7-16)17-12-10(14)4-9(18(19)20)5-11(12)15/h4-5,8,17H,6-7,16H2,1-3H3.
What are the key properties of 2-N-(2,6-dichloro-4-nitrophenyl)-2,4-dimethylpentane-1,2-diamine?
2-N-(2,6-dichloro-4-nitrophenyl)-2,4-dimethylpentane-1,2-diamine has a molecular weight of 320.22 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dichloro-4-nitrophenyl)-2,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 106891864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).