4-fluoro-2-(2-thiophen-2-ylethoxymethyl)aniline

C13H14FNOS — CID 54966860

IUPAC4-fluoro-2-(2-thiophen-2-ylethoxymethyl)aniline
SMILESNc1ccc(F)cc1COCCc1cccs1
InChIInChI=1S/C13H14FNOS/c14-11-3-4-13(15)10(8-11)9-16-6-5-12-2-1-7-17-12/h1-4,7-8H,5-6,9,15H2
InChIKeyUFDSWKGLAWCULE-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.23
Rot. Bonds5

About 4-fluoro-2-(2-thiophen-2-ylethoxymethyl)aniline

4-fluoro-2-(2-thiophen-2-ylethoxymethyl)aniline (PubChem CID 54966860) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-fluoro-2-(2-thiophen-2-ylethoxymethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(2-thiophen-2-ylethoxymethyl)aniline
PubChem CID54966860
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name4-fluoro-2-(2-thiophen-2-ylethoxymethyl)aniline
SMILESNc1ccc(F)cc1COCCc1cccs1
InChIInChI=1S/C13H14FNOS/c14-11-3-4-13(15)10(8-11)9-16-6-5-12-2-1-7-17-12/h1-4,7-8H,5-6,9,15H2
InChIKeyUFDSWKGLAWCULE-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-thiophen-2-ylethoxymethyl)aniline?
The IUPAC name of 4-fluoro-2-(2-thiophen-2-ylethoxymethyl)aniline (CID 54966860) is 4-fluoro-2-(2-thiophen-2-ylethoxymethyl)aniline.
What is the SMILES notation for 4-fluoro-2-(2-thiophen-2-ylethoxymethyl)aniline?
The canonical SMILES for 4-fluoro-2-(2-thiophen-2-ylethoxymethyl)aniline is Nc1ccc(F)cc1COCCc1cccs1.
What is the InChIKey of 4-fluoro-2-(2-thiophen-2-ylethoxymethyl)aniline?
The InChIKey is UFDSWKGLAWCULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c14-11-3-4-13(15)10(8-11)9-16-6-5-12-2-1-7-17-12/h1-4,7-8H,5-6,9,15H2.
What are the key properties of 4-fluoro-2-(2-thiophen-2-ylethoxymethyl)aniline?
4-fluoro-2-(2-thiophen-2-ylethoxymethyl)aniline has a molecular weight of 251.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-thiophen-2-ylethoxymethyl)aniline is sourced from PubChem (CID 54966860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).