2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline

C12H18N2O5 — CID 70584050

IUPAC2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline
SMILESCCOCCOCCOc1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C12H18N2O5/c1-2-17-5-6-18-7-8-19-12-9-10(14(15)16)3-4-11(12)13/h3-4,9H,2,5-8,13H2,1H3
InChIKeyZHURWXYJOYBROZ-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.61
Rot. Bonds9

About 2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline

2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline (PubChem CID 70584050) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline.

Molecular Properties

Compound Name2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline
PubChem CID70584050
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline
SMILESCCOCCOCCOc1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C12H18N2O5/c1-2-17-5-6-18-7-8-19-12-9-10(14(15)16)3-4-11(12)13/h3-4,9H,2,5-8,13H2,1H3
InChIKeyZHURWXYJOYBROZ-UHFFFAOYSA-N
XLogP1.61
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethoxyethoxy)-5-nitrobenzonitrile
CID 113324288
2-[2-(2-butoxyethoxy)ethoxy]-5-nitroaniline
CID 70583822
ethane;2-(4-ethoxy-2-methylbutan-2-yl)oxy-4-nitroaniline
CID 143809225
2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine
CID 103482481
4-amino-3-(2-ethoxyethoxy)benzenesulfonamide
CID 82900278
3-(2-ethoxyethoxy)-2-nitroaniline
CID 80858319
4-bromo-2-(2-ethoxyethoxy)aniline
CID 65342534
4-chloro-2-(2-ethoxyethoxy)aniline
CID 62306206
N-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine
CID 63056250
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 15105139
2-[2-[2-[2-(2-chlorosulfonyl-5-nitrophenoxy)ethoxy]ethoxy]ethoxy]-4-nitrobenzenesulfonyl chloride
CID 14341571
[2-(3-ethoxypropoxy)-5-nitrophenyl]methanol
CID 65175373

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline?
The IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline (CID 70584050) is 2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline.
What is the SMILES notation for 2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline?
The canonical SMILES for 2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline is CCOCCOCCOc1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline?
The InChIKey is ZHURWXYJOYBROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-2-17-5-6-18-7-8-19-12-9-10(14(15)16)3-4-11(12)13/h3-4,9H,2,5-8,13H2,1H3.
What are the key properties of 2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline?
2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline has a molecular weight of 270.28 g/mol, XLogP of 1.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline is sourced from PubChem (CID 70584050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).