2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline

C14H16N2O2S — CID 103144969

IUPAC2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC(C)c1cccs1
InChIInChI=1S/C14H16N2O2S/c1-9-8-13(16(17)18)10(2)7-12(9)15-11(3)14-5-4-6-19-14/h4-8,11,15H,1-3H3
InChIKeyRPTMEASJZDGTJD-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.45
Rot. Bonds4

About 2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline

2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 103144969) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline
PubChem CID103144969
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC(C)c1cccs1
InChIInChI=1S/C14H16N2O2S/c1-9-8-13(16(17)18)10(2)7-12(9)15-11(3)14-5-4-6-19-14/h4-8,11,15H,1-3H3
InChIKeyRPTMEASJZDGTJD-UHFFFAOYSA-N
XLogP4.45
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-methoxy-2-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 79034312
3-nitro-4-[[(1R)-1-thiophen-2-ylethyl]amino]benzaldehyde
CID 9109260
1-(4-methyl-3-nitrophenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398487
4-bromo-5-fluoro-2-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 66111833
N-methyl-3-nitro-4-[[(1S)-1-thiophen-2-ylethyl]amino]benzenesulfonamide
CID 9109316
N-[(4-methyl-3-nitrophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43223478
4-bromo-3-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 79768302
2-chloro-4-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 42909509
5-chloro-2-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)aniline
CID 115555811
3-nitro-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 43397780
8-nitro-N-(1-thiophen-2-ylethyl)isoquinolin-5-amine
CID 43397782
5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43729607

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline (CID 103144969) is 2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline is Cc1cc([N+](=O)[O-])c(C)cc1NC(C)c1cccs1.
What is the InChIKey of 2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is RPTMEASJZDGTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-8-13(16(17)18)10(2)7-12(9)15-11(3)14-5-4-6-19-14/h4-8,11,15H,1-3H3.
What are the key properties of 2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline?
2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline has a molecular weight of 276.36 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 103144969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).