5-methoxy-2-nitro-N-(1-thiophen-2-ylethyl)aniline

C13H14N2O3S — CID 79034312

IUPAC5-methoxy-2-nitro-N-(1-thiophen-2-ylethyl)aniline
SMILESCOc1ccc([N+](=O)[O-])c(NC(C)c2cccs2)c1
InChIInChI=1S/C13H14N2O3S/c1-9(13-4-3-7-19-13)14-11-8-10(18-2)5-6-12(11)15(16)17/h3-9,14H,1-2H3
InChIKeyRHZAJVXXVRCNGG-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.84
Rot. Bonds5

About 5-methoxy-2-nitro-N-(1-thiophen-2-ylethyl)aniline

5-methoxy-2-nitro-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 79034312) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-methoxy-2-nitro-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name5-methoxy-2-nitro-N-(1-thiophen-2-ylethyl)aniline
PubChem CID79034312
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name5-methoxy-2-nitro-N-(1-thiophen-2-ylethyl)aniline
SMILESCOc1ccc([N+](=O)[O-])c(NC(C)c2cccs2)c1
InChIInChI=1S/C13H14N2O3S/c1-9(13-4-3-7-19-13)14-11-8-10(18-2)5-6-12(11)15(16)17/h3-9,14H,1-2H3
InChIKeyRHZAJVXXVRCNGG-UHFFFAOYSA-N
XLogP3.84
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.84
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'}

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Related Compounds

4-bromo-5-fluoro-2-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 66111833
2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 103144969
3-nitro-4-[[(1R)-1-thiophen-2-ylethyl]amino]benzaldehyde
CID 9109260
2-(5-methoxy-2-nitrophenyl)-1-thiophen-2-ylethanol
CID 56925642
5-chloro-N-[1-(4-methoxyphenyl)ethyl]-2-nitroaniline
CID 43686093
1-N',1-N'-diethyl-1-N-(5-methoxy-2-nitrophenyl)ethane-1,1-diamine;hydrochloride
CID 67922707
N-methyl-3-nitro-4-[[(1S)-1-thiophen-2-ylethyl]amino]benzenesulfonamide
CID 9109316
5-methoxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-nitroaniline
CID 79033713
8-nitro-N-(1-thiophen-2-ylethyl)isoquinolin-5-amine
CID 43397782
3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43192817
4-bromo-3-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 79768302
2-chloro-4-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 42909509

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-nitro-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 5-methoxy-2-nitro-N-(1-thiophen-2-ylethyl)aniline (CID 79034312) is 5-methoxy-2-nitro-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 5-methoxy-2-nitro-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 5-methoxy-2-nitro-N-(1-thiophen-2-ylethyl)aniline is COc1ccc([N+](=O)[O-])c(NC(C)c2cccs2)c1.
What is the InChIKey of 5-methoxy-2-nitro-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is RHZAJVXXVRCNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-9(13-4-3-7-19-13)14-11-8-10(18-2)5-6-12(11)15(16)17/h3-9,14H,1-2H3.
What are the key properties of 5-methoxy-2-nitro-N-(1-thiophen-2-ylethyl)aniline?
5-methoxy-2-nitro-N-(1-thiophen-2-ylethyl)aniline has a molecular weight of 278.33 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-nitro-N-(1-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 79034312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).