5-fluoro-2-[(2-methoxyphenyl)methylsulfanyl]aniline

C14H14FNOS — CID 43304219

IUPAC5-fluoro-2-[(2-methoxyphenyl)methylsulfanyl]aniline
SMILESCOc1ccccc1CSc1ccc(F)cc1N
InChIInChI=1S/C14H14FNOS/c1-17-13-5-3-2-4-10(13)9-18-14-7-6-11(15)8-12(14)16/h2-8H,9,16H2,1H3
InChIKeyZBCHLGWMEQYRDQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.71
Rot. Bonds4

About 5-fluoro-2-[(2-methoxyphenyl)methylsulfanyl]aniline

5-fluoro-2-[(2-methoxyphenyl)methylsulfanyl]aniline (PubChem CID 43304219) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-fluoro-2-[(2-methoxyphenyl)methylsulfanyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-[(2-methoxyphenyl)methylsulfanyl]aniline
PubChem CID43304219
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name5-fluoro-2-[(2-methoxyphenyl)methylsulfanyl]aniline
SMILESCOc1ccccc1CSc1ccc(F)cc1N
InChIInChI=1S/C14H14FNOS/c1-17-13-5-3-2-4-10(13)9-18-14-7-6-11(15)8-12(14)16/h2-8H,9,16H2,1H3
InChIKeyZBCHLGWMEQYRDQ-UHFFFAOYSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-[(2-methoxyphenyl)methylsulfanyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-methoxyphenyl)methylsulfanyl]aniline?
The IUPAC name of 5-fluoro-2-[(2-methoxyphenyl)methylsulfanyl]aniline (CID 43304219) is 5-fluoro-2-[(2-methoxyphenyl)methylsulfanyl]aniline.
What is the SMILES notation for 5-fluoro-2-[(2-methoxyphenyl)methylsulfanyl]aniline?
The canonical SMILES for 5-fluoro-2-[(2-methoxyphenyl)methylsulfanyl]aniline is COc1ccccc1CSc1ccc(F)cc1N.
What is the InChIKey of 5-fluoro-2-[(2-methoxyphenyl)methylsulfanyl]aniline?
The InChIKey is ZBCHLGWMEQYRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-17-13-5-3-2-4-10(13)9-18-14-7-6-11(15)8-12(14)16/h2-8H,9,16H2,1H3.
What are the key properties of 5-fluoro-2-[(2-methoxyphenyl)methylsulfanyl]aniline?
5-fluoro-2-[(2-methoxyphenyl)methylsulfanyl]aniline has a molecular weight of 263.34 g/mol, XLogP of 3.71, 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-methoxyphenyl)methylsulfanyl]aniline is sourced from PubChem (CID 43304219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).