N-ethyl-4-nitro-2-(thiophen-2-ylmethoxymethyl)aniline

C14H16N2O3S — CID 62188718

IUPACN-ethyl-4-nitro-2-(thiophen-2-ylmethoxymethyl)aniline
SMILESCCNc1ccc([N+](=O)[O-])cc1COCc1cccs1
InChIInChI=1S/C14H16N2O3S/c1-2-15-14-6-5-12(16(17)18)8-11(14)9-19-10-13-4-3-7-20-13/h3-8,15H,2,9-10H2,1H3
InChIKeyCKYUVLCYFNSLJY-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.80
Rot. Bonds7

About N-ethyl-4-nitro-2-(thiophen-2-ylmethoxymethyl)aniline

N-ethyl-4-nitro-2-(thiophen-2-ylmethoxymethyl)aniline (PubChem CID 62188718) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-ethyl-4-nitro-2-(thiophen-2-ylmethoxymethyl)aniline.

Molecular Properties

Compound NameN-ethyl-4-nitro-2-(thiophen-2-ylmethoxymethyl)aniline
PubChem CID62188718
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-ethyl-4-nitro-2-(thiophen-2-ylmethoxymethyl)aniline
SMILESCCNc1ccc([N+](=O)[O-])cc1COCc1cccs1
InChIInChI=1S/C14H16N2O3S/c1-2-15-14-6-5-12(16(17)18)8-11(14)9-19-10-13-4-3-7-20-13/h3-8,15H,2,9-10H2,1H3
InChIKeyCKYUVLCYFNSLJY-UHFFFAOYSA-N
XLogP3.80
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-4-nitro-2-(thiophen-2-ylmethoxymethyl)aniline 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-nitro-4-(2-thiophen-2-ylethoxymethyl)aniline
CID 62189425
N-ethyl-2-nitro-3-(thiophen-2-ylmethoxy)aniline
CID 80872815
N-[[5-nitro-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60889783
N-[[5-nitro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 63775464
N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-nitroaniline
CID 62183100
N-methyl-4-nitro-2-(propoxymethyl)aniline
CID 62195376
2-[(dipropylamino)methyl]-N-ethyl-4-nitroaniline
CID 62183553
1-N-ethyl-2-nitro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine
CID 80775963
N-[(2-ethylphenyl)methyl]-2-(methoxymethyl)-4-nitroaniline
CID 133340690
N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-4-nitroaniline
CID 62181919
N-ethyl-2-nitro-6-(2-thiophen-2-ylethoxymethyl)aniline
CID 107352354
2-(cyclopropylmethoxymethyl)-4-nitro-N-propylaniline
CID 62194303

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-nitro-2-(thiophen-2-ylmethoxymethyl)aniline?
The IUPAC name of N-ethyl-4-nitro-2-(thiophen-2-ylmethoxymethyl)aniline (CID 62188718) is N-ethyl-4-nitro-2-(thiophen-2-ylmethoxymethyl)aniline.
What is the SMILES notation for N-ethyl-4-nitro-2-(thiophen-2-ylmethoxymethyl)aniline?
The canonical SMILES for N-ethyl-4-nitro-2-(thiophen-2-ylmethoxymethyl)aniline is CCNc1ccc([N+](=O)[O-])cc1COCc1cccs1.
What is the InChIKey of N-ethyl-4-nitro-2-(thiophen-2-ylmethoxymethyl)aniline?
The InChIKey is CKYUVLCYFNSLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-2-15-14-6-5-12(16(17)18)8-11(14)9-19-10-13-4-3-7-20-13/h3-8,15H,2,9-10H2,1H3.
What are the key properties of N-ethyl-4-nitro-2-(thiophen-2-ylmethoxymethyl)aniline?
N-ethyl-4-nitro-2-(thiophen-2-ylmethoxymethyl)aniline has a molecular weight of 292.36 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-nitro-2-(thiophen-2-ylmethoxymethyl)aniline is sourced from PubChem (CID 62188718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).