N-(2-methoxyethoxy)-2-nitroaniline

C9H12N2O4 — CID 118026256

IUPACN-(2-methoxyethoxy)-2-nitroaniline
SMILESCOCCONc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H12N2O4/c1-14-6-7-15-10-8-4-2-3-5-9(8)11(12)13/h2-5,10H,6-7H2,1H3
InChIKeyHXYOZJURJJTXNB-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.58
Rot. Bonds6

About N-(2-methoxyethoxy)-2-nitroaniline

N-(2-methoxyethoxy)-2-nitroaniline (PubChem CID 118026256) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-2-nitroaniline.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-2-nitroaniline
PubChem CID118026256
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC NameN-(2-methoxyethoxy)-2-nitroaniline
SMILESCOCCONc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H12N2O4/c1-14-6-7-15-10-8-4-2-3-5-9(8)11(12)13/h2-5,10H,6-7H2,1H3
InChIKeyHXYOZJURJJTXNB-UHFFFAOYSA-N
XLogP1.58
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze N-(2-methoxyethoxy)-2-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

N-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine
CID 82722032
2-[bis(2-methoxyethyl)amino]-N-(2-nitrophenyl)acetamide
CID 31013542
3-methoxy-2-(2-nitroanilino)propanoic acid
CID 81077702
methyl N-[2-(2-nitroanilino)ethyl]carbamate
CID 23551562
5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[2-(2-nitroanilino)ethyl]benzamide
CID 46520903
1-(2-nitrophenyl)-3-propoxyurea
CID 5118634
carbamic acid;N-methyl-2-nitroaniline
CID 175546963
1-methoxy-3-(2-nitrophenyl)urea
CID 5118632
methyl (2S)-3-methyl-2-(2-nitroanilino)butanoate
CID 102338756
1-ethoxy-3-(2-nitrophenyl)urea
CID 5118633
3,4-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278136
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-2-nitroaniline?
The IUPAC name of N-(2-methoxyethoxy)-2-nitroaniline (CID 118026256) is N-(2-methoxyethoxy)-2-nitroaniline.
What is the SMILES notation for N-(2-methoxyethoxy)-2-nitroaniline?
The canonical SMILES for N-(2-methoxyethoxy)-2-nitroaniline is COCCONc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methoxyethoxy)-2-nitroaniline?
The InChIKey is HXYOZJURJJTXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-14-6-7-15-10-8-4-2-3-5-9(8)11(12)13/h2-5,10H,6-7H2,1H3.
What are the key properties of N-(2-methoxyethoxy)-2-nitroaniline?
N-(2-methoxyethoxy)-2-nitroaniline has a molecular weight of 212.20 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-2-nitroaniline is sourced from PubChem (CID 118026256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).