N-ethyl-2-(2-methoxyethoxymethyl)-6-nitroaniline

C12H18N2O4 — CID 107352178

IUPACN-ethyl-2-(2-methoxyethoxymethyl)-6-nitroaniline
SMILESCCNc1c(COCCOC)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N2O4/c1-3-13-12-10(9-18-8-7-17-2)5-4-6-11(12)14(15)16/h4-6,13H,3,7-9H2,1-2H3
InChIKeyNVAZVBBKVWCTHC-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.19
Rot. Bonds8

About N-ethyl-2-(2-methoxyethoxymethyl)-6-nitroaniline

N-ethyl-2-(2-methoxyethoxymethyl)-6-nitroaniline (PubChem CID 107352178) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-ethyl-2-(2-methoxyethoxymethyl)-6-nitroaniline.

Molecular Properties

Compound NameN-ethyl-2-(2-methoxyethoxymethyl)-6-nitroaniline
PubChem CID107352178
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-ethyl-2-(2-methoxyethoxymethyl)-6-nitroaniline
SMILESCCNc1c(COCCOC)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N2O4/c1-3-13-12-10(9-18-8-7-17-2)5-4-6-11(12)14(15)16/h4-6,13H,3,7-9H2,1-2H3
InChIKeyNVAZVBBKVWCTHC-UHFFFAOYSA-N
XLogP2.19
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.19
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-ethyl-2-(2-methoxyethoxymethyl)-6-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-ethyl-2-[2-(2-methylpropoxy)ethoxymethyl]-6-nitroaniline
CID 107352511
N-ethyl-2-nitro-6-(2-thiophen-2-ylethoxymethyl)aniline
CID 107352354
N-ethyl-2-[[2-methoxyethyl(methyl)amino]methyl]-6-nitroaniline
CID 107351162
2-(butoxymethyl)-6-nitro-N-propylaniline
CID 107352305
N-ethyl-2-(3-methoxypropylsulfanylmethyl)-6-nitroaniline
CID 107352761
2-(methoxymethyl)-6-nitro-N-propylaniline
CID 107352092
N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]-6-nitroaniline
CID 107352216
N-ethyl-2-methoxy-6-nitroaniline
CID 89287909
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-nitroaniline
CID 107351326
N-ethyl-4-(2-methoxyethoxymethyl)-2-nitroaniline
CID 62194607
(E)-N'-[2-(methoxymethoxymethyl)-6-nitrophenyl]-N-(2-nitrophenyl)but-2-ene-1,4-diamine
CID 155183782
2-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-3-nitrobenzene
CID 107348769

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methoxyethoxymethyl)-6-nitroaniline?
The IUPAC name of N-ethyl-2-(2-methoxyethoxymethyl)-6-nitroaniline (CID 107352178) is N-ethyl-2-(2-methoxyethoxymethyl)-6-nitroaniline.
What is the SMILES notation for N-ethyl-2-(2-methoxyethoxymethyl)-6-nitroaniline?
The canonical SMILES for N-ethyl-2-(2-methoxyethoxymethyl)-6-nitroaniline is CCNc1c(COCCOC)cccc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-2-(2-methoxyethoxymethyl)-6-nitroaniline?
The InChIKey is NVAZVBBKVWCTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-13-12-10(9-18-8-7-17-2)5-4-6-11(12)14(15)16/h4-6,13H,3,7-9H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methoxyethoxymethyl)-6-nitroaniline?
N-ethyl-2-(2-methoxyethoxymethyl)-6-nitroaniline has a molecular weight of 254.29 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methoxyethoxymethyl)-6-nitroaniline is sourced from PubChem (CID 107352178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).