3-(2-ethoxyethoxy)-2-nitroaniline

C10H14N2O4 — CID 80858319

IUPAC3-(2-ethoxyethoxy)-2-nitroaniline
SMILESCCOCCOc1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O4/c1-2-15-6-7-16-9-5-3-4-8(11)10(9)12(13)14/h3-5H,2,6-7,11H2,1H3
InChIKeyRMALJGUSBNMMFA-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.59
Rot. Bonds6

About 3-(2-ethoxyethoxy)-2-nitroaniline

3-(2-ethoxyethoxy)-2-nitroaniline (PubChem CID 80858319) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-2-nitroaniline.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-2-nitroaniline
PubChem CID80858319
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-(2-ethoxyethoxy)-2-nitroaniline
SMILESCCOCCOc1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O4/c1-2-15-6-7-16-9-5-3-4-8(11)10(9)12(13)14/h3-5H,2,6-7,11H2,1H3
InChIKeyRMALJGUSBNMMFA-UHFFFAOYSA-N
XLogP1.59
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

3-(methoxymethoxy)-2-nitroaniline
CID 91619111
3-(2-methylpropoxy)-2-nitroaniline
CID 80860372
1-(2-ethoxyethoxy)-2-nitrobenzene
CID 23347822
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 15105139
2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline
CID 70584050
3-amino-N-(2-ethoxyethyl)-2-nitrobenzenesulfonamide
CID 112675241
2-nitro-1,3-dioctoxybenzene
CID 537243
2-amino-6-(2-ethoxyethoxy)benzoic acid
CID 107341443
2-[2-(3-methyl-2-nitrophenoxy)ethoxy]ethanol
CID 61075343
3-amino-N-(3-ethoxypropyl)-2-nitrobenzamide
CID 115548367
3-(2-methoxyethoxy)-2-nitrobenzoic acid
CID 69405433
2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline
CID 21205906

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-2-nitroaniline?
The IUPAC name of 3-(2-ethoxyethoxy)-2-nitroaniline (CID 80858319) is 3-(2-ethoxyethoxy)-2-nitroaniline.
What is the SMILES notation for 3-(2-ethoxyethoxy)-2-nitroaniline?
The canonical SMILES for 3-(2-ethoxyethoxy)-2-nitroaniline is CCOCCOc1cccc(N)c1[N+](=O)[O-].
What is the InChIKey of 3-(2-ethoxyethoxy)-2-nitroaniline?
The InChIKey is RMALJGUSBNMMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-2-15-6-7-16-9-5-3-4-8(11)10(9)12(13)14/h3-5H,2,6-7,11H2,1H3.
What are the key properties of 3-(2-ethoxyethoxy)-2-nitroaniline?
3-(2-ethoxyethoxy)-2-nitroaniline has a molecular weight of 226.23 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-2-nitroaniline is sourced from PubChem (CID 80858319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).