4-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline

C14H14FNS — CID 834569

IUPAC4-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline
SMILESCSc1ccc(CNc2ccc(F)cc2)cc1
InChIInChI=1S/C14H14FNS/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13/h2-9,16H,10H2,1H3
InChIKeyWXPYBGTYDKSXMQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.16
Rot. Bonds4

About 4-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline

4-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline (PubChem CID 834569) has the molecular formula C14H14FNS and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline
PubChem CID834569
Molecular FormulaC14H14FNS
Molecular Weight247.34 g/mol
Exact Mass247.08
IUPAC Name4-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline
SMILESCSc1ccc(CNc2ccc(F)cc2)cc1
InChIInChI=1S/C14H14FNS/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13/h2-9,16H,10H2,1H3
InChIKeyWXPYBGTYDKSXMQ-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline?
The IUPAC name of 4-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline (CID 834569) is 4-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline?
The canonical SMILES for 4-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline is CSc1ccc(CNc2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline?
The InChIKey is WXPYBGTYDKSXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13/h2-9,16H,10H2,1H3.
What are the key properties of 4-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline?
4-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline has a molecular weight of 247.34 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline is sourced from PubChem (CID 834569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).