5-fluoro-2-(2-methoxyethylsulfanyl)-4-methylaniline

C10H14FNOS — CID 103591355

IUPAC5-fluoro-2-(2-methoxyethylsulfanyl)-4-methylaniline
SMILESCOCCSc1cc(C)c(F)cc1N
InChIInChI=1S/C10H14FNOS/c1-7-5-10(14-4-3-13-2)9(12)6-8(7)11/h5-6H,3-4,12H2,1-2H3
InChIKeyCWRSUXPBKHOLBP-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.45
Rot. Bonds4

About 5-fluoro-2-(2-methoxyethylsulfanyl)-4-methylaniline

5-fluoro-2-(2-methoxyethylsulfanyl)-4-methylaniline (PubChem CID 103591355) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 5-fluoro-2-(2-methoxyethylsulfanyl)-4-methylaniline.

Molecular Properties

Compound Name5-fluoro-2-(2-methoxyethylsulfanyl)-4-methylaniline
PubChem CID103591355
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name5-fluoro-2-(2-methoxyethylsulfanyl)-4-methylaniline
SMILESCOCCSc1cc(C)c(F)cc1N
InChIInChI=1S/C10H14FNOS/c1-7-5-10(14-4-3-13-2)9(12)6-8(7)11/h5-6H,3-4,12H2,1-2H3
InChIKeyCWRSUXPBKHOLBP-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.45
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 5-fluoro-2-(2-methoxyethylsulfanyl)-4-methylaniline?
The IUPAC name of 5-fluoro-2-(2-methoxyethylsulfanyl)-4-methylaniline (CID 103591355) is 5-fluoro-2-(2-methoxyethylsulfanyl)-4-methylaniline.
What is the SMILES notation for 5-fluoro-2-(2-methoxyethylsulfanyl)-4-methylaniline?
The canonical SMILES for 5-fluoro-2-(2-methoxyethylsulfanyl)-4-methylaniline is COCCSc1cc(C)c(F)cc1N.
What is the InChIKey of 5-fluoro-2-(2-methoxyethylsulfanyl)-4-methylaniline?
The InChIKey is CWRSUXPBKHOLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-7-5-10(14-4-3-13-2)9(12)6-8(7)11/h5-6H,3-4,12H2,1-2H3.
What are the key properties of 5-fluoro-2-(2-methoxyethylsulfanyl)-4-methylaniline?
5-fluoro-2-(2-methoxyethylsulfanyl)-4-methylaniline has a molecular weight of 215.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methoxyethylsulfanyl)-4-methylaniline is sourced from PubChem (CID 103591355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).