2,6-dichloro-N-(2-methoxyethyl)-4-nitroaniline

C9H10Cl2N2O3 — CID 104916965

IUPAC2,6-dichloro-N-(2-methoxyethyl)-4-nitroaniline
SMILESCOCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H10Cl2N2O3/c1-16-3-2-12-9-7(10)4-6(13(14)15)5-8(9)11/h4-5,12H,2-3H2,1H3
InChIKeyKBAPVCNZDBHDGN-UHFFFAOYSA-N
MW265.10 g/mol
LogP2.96
Rot. Bonds5

About 2,6-dichloro-N-(2-methoxyethyl)-4-nitroaniline

2,6-dichloro-N-(2-methoxyethyl)-4-nitroaniline (PubChem CID 104916965) has the molecular formula C9H10Cl2N2O3 and a molecular weight of 265.10 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-methoxyethyl)-4-nitroaniline.

Molecular Properties

Compound Name2,6-dichloro-N-(2-methoxyethyl)-4-nitroaniline
PubChem CID104916965
Molecular FormulaC9H10Cl2N2O3
Molecular Weight265.10 g/mol
Exact Mass264.01
IUPAC Name2,6-dichloro-N-(2-methoxyethyl)-4-nitroaniline
SMILESCOCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H10Cl2N2O3/c1-16-3-2-12-9-7(10)4-6(13(14)15)5-8(9)11/h4-5,12H,2-3H2,1H3
InChIKeyKBAPVCNZDBHDGN-UHFFFAOYSA-N
XLogP2.96
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-4-nitro-N-(2-phenoxyethyl)aniline
CID 106891512
2,6-dichloro-N-(2-cyclopentyloxyethyl)-4-nitroaniline
CID 106891562
2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide
CID 106891666
2,6-dichloro-N-(4-methylsulfanylbutyl)-4-nitroaniline
CID 106891691
2,6-dichloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-nitroaniline
CID 133443142
2,6-dichloro-N-(2-ethylbutyl)-4-nitroaniline
CID 106891704
2,6-difluoro-N-(4-methoxybutyl)-4-nitroaniline
CID 103828455
2,6-dichloro-N-(1-methoxypentan-2-yl)-4-nitroaniline
CID 106891579
2,6-dichloro-N-(2-ethoxypropyl)-4-nitroaniline
CID 104917732
4-(2-methoxyethylamino)-3,5-dinitrobenzoyl chloride
CID 132593762
2-(2-chloro-4-nitroanilino)-N-(2-methoxyethyl)acetamide
CID 26448563
2,6-dichloro-N-(2-chloroprop-2-enyl)-4-nitroaniline
CID 106891675

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-methoxyethyl)-4-nitroaniline?
The IUPAC name of 2,6-dichloro-N-(2-methoxyethyl)-4-nitroaniline (CID 104916965) is 2,6-dichloro-N-(2-methoxyethyl)-4-nitroaniline.
What is the SMILES notation for 2,6-dichloro-N-(2-methoxyethyl)-4-nitroaniline?
The canonical SMILES for 2,6-dichloro-N-(2-methoxyethyl)-4-nitroaniline is COCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2-methoxyethyl)-4-nitroaniline?
The InChIKey is KBAPVCNZDBHDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O3/c1-16-3-2-12-9-7(10)4-6(13(14)15)5-8(9)11/h4-5,12H,2-3H2,1H3.
What are the key properties of 2,6-dichloro-N-(2-methoxyethyl)-4-nitroaniline?
2,6-dichloro-N-(2-methoxyethyl)-4-nitroaniline has a molecular weight of 265.10 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-methoxyethyl)-4-nitroaniline is sourced from PubChem (CID 104916965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).