2-(2,4-dimethylphenyl)sulfanyl-4-fluoroaniline

C14H14FNS — CID 62378200

IUPAC2-(2,4-dimethylphenyl)sulfanyl-4-fluoroaniline
SMILESCc1ccc(Sc2cc(F)ccc2N)c(C)c1
InChIInChI=1S/C14H14FNS/c1-9-3-6-13(10(2)7-9)17-14-8-11(15)4-5-12(14)16/h3-8H,16H2,1-2H3
InChIKeyWCGDEGVCBWCXLV-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.18
Rot. Bonds2

About 2-(2,4-dimethylphenyl)sulfanyl-4-fluoroaniline

2-(2,4-dimethylphenyl)sulfanyl-4-fluoroaniline (PubChem CID 62378200) has the molecular formula C14H14FNS and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-4-fluoroaniline.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-4-fluoroaniline
PubChem CID62378200
Molecular FormulaC14H14FNS
Molecular Weight247.34 g/mol
Exact Mass247.08
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-4-fluoroaniline
SMILESCc1ccc(Sc2cc(F)ccc2N)c(C)c1
InChIInChI=1S/C14H14FNS/c1-9-3-6-13(10(2)7-9)17-14-8-11(15)4-5-12(14)16/h3-8H,16H2,1-2H3
InChIKeyWCGDEGVCBWCXLV-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-4-fluoroaniline?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-4-fluoroaniline (CID 62378200) is 2-(2,4-dimethylphenyl)sulfanyl-4-fluoroaniline.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-4-fluoroaniline?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-4-fluoroaniline is Cc1ccc(Sc2cc(F)ccc2N)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-4-fluoroaniline?
The InChIKey is WCGDEGVCBWCXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS/c1-9-3-6-13(10(2)7-9)17-14-8-11(15)4-5-12(14)16/h3-8H,16H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-4-fluoroaniline?
2-(2,4-dimethylphenyl)sulfanyl-4-fluoroaniline has a molecular weight of 247.34 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-4-fluoroaniline is sourced from PubChem (CID 62378200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).