4-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline

C13H14FNOS — CID 43259293

IUPAC4-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline
SMILESCCc1ccc(COc2ccc(N)cc2F)s1
InChIInChI=1S/C13H14FNOS/c1-2-10-4-5-11(17-10)8-16-13-6-3-9(15)7-12(13)14/h3-7H,2,8,15H2,1H3
InChIKeyAJMOQZQDIQKSMI-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.61
Rot. Bonds4

About 4-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline

4-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline (PubChem CID 43259293) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline.

Molecular Properties

Compound Name4-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline
PubChem CID43259293
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name4-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline
SMILESCCc1ccc(COc2ccc(N)cc2F)s1
InChIInChI=1S/C13H14FNOS/c1-2-10-4-5-11(17-10)8-16-13-6-3-9(15)7-12(13)14/h3-7H,2,8,15H2,1H3
InChIKeyAJMOQZQDIQKSMI-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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Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline?
The IUPAC name of 4-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline (CID 43259293) is 4-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline.
What is the SMILES notation for 4-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline?
The canonical SMILES for 4-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline is CCc1ccc(COc2ccc(N)cc2F)s1.
What is the InChIKey of 4-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline?
The InChIKey is AJMOQZQDIQKSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-2-10-4-5-11(17-10)8-16-13-6-3-9(15)7-12(13)14/h3-7H,2,8,15H2,1H3.
What are the key properties of 4-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline?
4-[(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 4-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline is sourced from PubChem (CID 43259293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).