5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline

C13H14FNOS — CID 114415831

IUPAC5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline
SMILESCc1cc(OCCc2cccs2)c(F)cc1N
InChIInChI=1S/C13H14FNOS/c1-9-7-13(11(14)8-12(9)15)16-5-4-10-3-2-6-17-10/h2-3,6-8H,4-5,15H2,1H3
InChIKeyQVXGCMBDQSYNAJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.40
Rot. Bonds4

About 5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline

5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline (PubChem CID 114415831) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline
PubChem CID114415831
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline
SMILESCc1cc(OCCc2cccs2)c(F)cc1N
InChIInChI=1S/C13H14FNOS/c1-9-7-13(11(14)8-12(9)15)16-5-4-10-3-2-6-17-10/h2-3,6-8H,4-5,15H2,1H3
InChIKeyQVXGCMBDQSYNAJ-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-(2-thiophen-2-ylethoxy)aniline
CID 63776205
5-fluoro-2-methyl-4-(4-phenylbutoxy)aniline
CID 114416119
2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713
4-ethoxy-5-fluoro-2-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 55218205
5-fluoro-2-methyl-4-(2-phenylsulfanylethoxy)aniline
CID 114415779
3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde
CID 102670875
5-fluoro-2-methyl-4-(3-methylsulfanylpropoxy)aniline
CID 114415919
N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 107686825
(1R)-1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63370121
4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine
CID 106748443
2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene
CID 79887659
[3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
CID 79886131

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline?
The IUPAC name of 5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline (CID 114415831) is 5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline.
What is the SMILES notation for 5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline?
The canonical SMILES for 5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline is Cc1cc(OCCc2cccs2)c(F)cc1N.
What is the InChIKey of 5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline?
The InChIKey is QVXGCMBDQSYNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-9-7-13(11(14)8-12(9)15)16-5-4-10-3-2-6-17-10/h2-3,6-8H,4-5,15H2,1H3.
What are the key properties of 5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline?
5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline has a molecular weight of 251.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline is sourced from PubChem (CID 114415831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).