4-ethoxy-3-fluoro-N-(2-thiophen-3-ylethyl)aniline

C14H16FNOS — CID 113399729

IUPAC4-ethoxy-3-fluoro-N-(2-thiophen-3-ylethyl)aniline
SMILESCCOc1ccc(NCCc2ccsc2)cc1F
InChIInChI=1S/C14H16FNOS/c1-2-17-14-4-3-12(9-13(14)15)16-7-5-11-6-8-18-10-11/h3-4,6,8-10,16H,2,5,7H2,1H3
InChIKeyGICQJIWAWHHIHO-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.94
Rot. Bonds6

About 4-ethoxy-3-fluoro-N-(2-thiophen-3-ylethyl)aniline

4-ethoxy-3-fluoro-N-(2-thiophen-3-ylethyl)aniline (PubChem CID 113399729) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-(2-thiophen-3-ylethyl)aniline.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-(2-thiophen-3-ylethyl)aniline
PubChem CID113399729
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name4-ethoxy-3-fluoro-N-(2-thiophen-3-ylethyl)aniline
SMILESCCOc1ccc(NCCc2ccsc2)cc1F
InChIInChI=1S/C14H16FNOS/c1-2-17-14-4-3-12(9-13(14)15)16-7-5-11-6-8-18-10-11/h3-4,6,8-10,16H,2,5,7H2,1H3
InChIKeyGICQJIWAWHHIHO-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-(2-thiophen-3-ylethyl)aniline?
The IUPAC name of 4-ethoxy-3-fluoro-N-(2-thiophen-3-ylethyl)aniline (CID 113399729) is 4-ethoxy-3-fluoro-N-(2-thiophen-3-ylethyl)aniline.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-(2-thiophen-3-ylethyl)aniline?
The canonical SMILES for 4-ethoxy-3-fluoro-N-(2-thiophen-3-ylethyl)aniline is CCOc1ccc(NCCc2ccsc2)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-(2-thiophen-3-ylethyl)aniline?
The InChIKey is GICQJIWAWHHIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-2-17-14-4-3-12(9-13(14)15)16-7-5-11-6-8-18-10-11/h3-4,6,8-10,16H,2,5,7H2,1H3.
What are the key properties of 4-ethoxy-3-fluoro-N-(2-thiophen-3-ylethyl)aniline?
4-ethoxy-3-fluoro-N-(2-thiophen-3-ylethyl)aniline has a molecular weight of 265.35 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-(2-thiophen-3-ylethyl)aniline is sourced from PubChem (CID 113399729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).