2-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline

C13H14FNOS — CID 104831290

IUPAC2-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline
SMILESCCc1ccc(COc2c(N)cccc2F)s1
InChIInChI=1S/C13H14FNOS/c1-2-9-6-7-10(17-9)8-16-13-11(14)4-3-5-12(13)15/h3-7H,2,8,15H2,1H3
InChIKeyCXZRXCXTTPKJCR-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.61
Rot. Bonds4

About 2-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline

2-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline (PubChem CID 104831290) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline
PubChem CID104831290
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name2-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline
SMILESCCc1ccc(COc2c(N)cccc2F)s1
InChIInChI=1S/C13H14FNOS/c1-2-9-6-7-10(17-9)8-16-13-11(14)4-3-5-12(13)15/h3-7H,2,8,15H2,1H3
InChIKeyCXZRXCXTTPKJCR-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
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

3-fluoro-2-(thiophen-2-ylmethoxy)aniline
CID 104831460
3-fluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 113458208
2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 43609289
3-fluoro-2-hexoxyaniline
CID 104831272
2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline
CID 104831279
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluoroaniline
CID 104831258
5-[(2,6-difluorophenoxy)methyl]thiophene-2-carbohydrazide
CID 81267986
[4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine
CID 107686357
[2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608155
2-[(3-chlorophenyl)methoxy]-3-fluoroaniline
CID 104831215
2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline
CID 61312810
1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine
CID 61392036

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline (CID 104831290) is 2-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline is CCc1ccc(COc2c(N)cccc2F)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline?
The InChIKey is CXZRXCXTTPKJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-2-9-6-7-10(17-9)8-16-13-11(14)4-3-5-12(13)15/h3-7H,2,8,15H2,1H3.
What are the key properties of 2-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline?
2-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline has a molecular weight of 251.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline is sourced from PubChem (CID 104831290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).