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

C11H14Cl2N2O3 — CID 104917732

IUPAC2,6-dichloro-N-(2-ethoxypropyl)-4-nitroaniline
SMILESCCOC(C)CNc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H14Cl2N2O3/c1-3-18-7(2)6-14-11-9(12)4-8(15(16)17)5-10(11)13/h4-5,7,14H,3,6H2,1-2H3
InChIKeyJAVPBLCCZHNBRN-UHFFFAOYSA-N
MW293.15 g/mol
LogP3.74
Rot. Bonds6

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

2,6-dichloro-N-(2-ethoxypropyl)-4-nitroaniline (PubChem CID 104917732) has the molecular formula C11H14Cl2N2O3 and a molecular weight of 293.15 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-ethoxypropyl)-4-nitroaniline.

Molecular Properties

Compound Name2,6-dichloro-N-(2-ethoxypropyl)-4-nitroaniline
PubChem CID104917732
Molecular FormulaC11H14Cl2N2O3
Molecular Weight293.15 g/mol
Exact Mass292.04
IUPAC Name2,6-dichloro-N-(2-ethoxypropyl)-4-nitroaniline
SMILESCCOC(C)CNc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H14Cl2N2O3/c1-3-18-7(2)6-14-11-9(12)4-8(15(16)17)5-10(11)13/h4-5,7,14H,3,6H2,1-2H3
InChIKeyJAVPBLCCZHNBRN-UHFFFAOYSA-N
XLogP3.74
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 53.74
H-Bond Donors ≤ 51
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

2,6-dichloro-N-(2-ethylbutyl)-4-nitroaniline
CID 106891704
3-chloro-N-(2-ethoxypropyl)-2-methyl-6-nitroaniline
CID 112740997
2-bromo-N-(2-ethoxypropyl)-4-nitroaniline
CID 115658151
2,6-dichloro-N-(2-methoxyethyl)-4-nitroaniline
CID 104916965
2,6-dichloro-4-nitro-N-propan-2-ylaniline
CID 13358260
2,6-dichloro-N-(2-chloroprop-2-enyl)-4-nitroaniline
CID 106891675
1-(2,6-dichloro-4-nitroanilino)-2-methylpentan-2-ol
CID 106290754
1,3-dichloro-2-(3,3-diethoxypropoxy)-5-nitrobenzene
CID 63629148
2,4,6-trichloro-N-(2,2-diethoxyethyl)aniline
CID 81093868
3-chloro-2-[(2-hydroxy-3-methoxypropyl)amino]-5-nitrobenzoic acid
CID 107190798
2-N-(2,6-dichloro-4-nitrophenyl)-2,4-dimethylpentane-1,2-diamine
CID 106891864
2,6-dichloro-N-(1-methoxypentan-2-yl)-4-nitroaniline
CID 106891579

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-ethoxypropyl)-4-nitroaniline?
The IUPAC name of 2,6-dichloro-N-(2-ethoxypropyl)-4-nitroaniline (CID 104917732) is 2,6-dichloro-N-(2-ethoxypropyl)-4-nitroaniline.
What is the SMILES notation for 2,6-dichloro-N-(2-ethoxypropyl)-4-nitroaniline?
The canonical SMILES for 2,6-dichloro-N-(2-ethoxypropyl)-4-nitroaniline is CCOC(C)CNc1c(Cl)cc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2-ethoxypropyl)-4-nitroaniline?
The InChIKey is JAVPBLCCZHNBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3/c1-3-18-7(2)6-14-11-9(12)4-8(15(16)17)5-10(11)13/h4-5,7,14H,3,6H2,1-2H3.
What are the key properties of 2,6-dichloro-N-(2-ethoxypropyl)-4-nitroaniline?
2,6-dichloro-N-(2-ethoxypropyl)-4-nitroaniline has a molecular weight of 293.15 g/mol, XLogP of 3.74, 6 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-ethoxypropyl)-4-nitroaniline is sourced from PubChem (CID 104917732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).