4-chloro-N-(2-methoxyethyl)-2-nitroaniline

C9H11ClN2O3 — CID 28542742

IUPAC4-chloro-N-(2-methoxyethyl)-2-nitroaniline
SMILESCOCCNc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C9H11ClN2O3/c1-15-5-4-11-8-3-2-7(10)6-9(8)12(13)14/h2-3,6,11H,4-5H2,1H3
InChIKeyCEYWNCDTBXPQKH-UHFFFAOYSA-N
MW230.65 g/mol
LogP2.31
Rot. Bonds5

About 4-chloro-N-(2-methoxyethyl)-2-nitroaniline

4-chloro-N-(2-methoxyethyl)-2-nitroaniline (PubChem CID 28542742) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyethyl)-2-nitroaniline.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyethyl)-2-nitroaniline
PubChem CID28542742
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name4-chloro-N-(2-methoxyethyl)-2-nitroaniline
SMILESCOCCNc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C9H11ClN2O3/c1-15-5-4-11-8-3-2-7(10)6-9(8)12(13)14/h2-3,6,11H,4-5H2,1H3
InChIKeyCEYWNCDTBXPQKH-UHFFFAOYSA-N
XLogP2.31
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 52.31
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

4-chloro-N-(3-methoxypropyl)-2-nitroaniline
CID 43089839
4-methoxy-N-(2-methoxyethyl)-2-nitroaniline
CID 28549886
N-[2-(4-aminophenoxy)ethyl]-4-chloro-2-nitroaniline
CID 63237720
N-[1-(2,4-dichlorophenyl)ethyl]-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 24514903
4-N,4-N-diethyl-1-N-(2-methoxyethyl)-2-nitrobenzene-1,4-diamine
CID 90811507
4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684
2-(4-chloro-2-nitroanilino)ethyl-ethylazanium
CID 3267348
4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-nitroaniline
CID 65048341
2-(4-chloro-2-nitroanilino)-N-methylethanesulfonamide
CID 103081288
4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline
CID 83008459
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(2-methoxyethylamino)-3-nitrophenyl]methanone
CID 55971317
N-(2-methoxyethyl)-N'-(4-methoxy-2-nitrophenyl)ethane-1,2-diamine
CID 83030382

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxyethyl)-2-nitroaniline?
The IUPAC name of 4-chloro-N-(2-methoxyethyl)-2-nitroaniline (CID 28542742) is 4-chloro-N-(2-methoxyethyl)-2-nitroaniline.
What is the SMILES notation for 4-chloro-N-(2-methoxyethyl)-2-nitroaniline?
The canonical SMILES for 4-chloro-N-(2-methoxyethyl)-2-nitroaniline is COCCNc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-N-(2-methoxyethyl)-2-nitroaniline?
The InChIKey is CEYWNCDTBXPQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c1-15-5-4-11-8-3-2-7(10)6-9(8)12(13)14/h2-3,6,11H,4-5H2,1H3.
What are the key properties of 4-chloro-N-(2-methoxyethyl)-2-nitroaniline?
4-chloro-N-(2-methoxyethyl)-2-nitroaniline has a molecular weight of 230.65 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxyethyl)-2-nitroaniline is sourced from PubChem (CID 28542742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).