N-[(4-fluorophenyl)methyl]-4-methylsulfanylaniline

C14H14FNS — CID 22036205

IUPACN-[(4-fluorophenyl)methyl]-4-methylsulfanylaniline
SMILESCSc1ccc(NCc2ccc(F)cc2)cc1
InChIInChI=1S/C14H14FNS/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3
InChIKeyYXUYGAMRUOMBLD-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.16
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-methylsulfanylaniline

N-[(4-fluorophenyl)methyl]-4-methylsulfanylaniline (PubChem CID 22036205) has the molecular formula C14H14FNS and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methylsulfanylaniline.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methylsulfanylaniline
PubChem CID22036205
Molecular FormulaC14H14FNS
Molecular Weight247.34 g/mol
Exact Mass247.08
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methylsulfanylaniline
SMILESCSc1ccc(NCc2ccc(F)cc2)cc1
InChIInChI=1S/C14H14FNS/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3
InChIKeyYXUYGAMRUOMBLD-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 N-[(4-fluorophenyl)methyl]-4-methylsulfanylaniline?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methylsulfanylaniline (CID 22036205) is N-[(4-fluorophenyl)methyl]-4-methylsulfanylaniline.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methylsulfanylaniline?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methylsulfanylaniline is CSc1ccc(NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methylsulfanylaniline?
The InChIKey is YXUYGAMRUOMBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methylsulfanylaniline?
N-[(4-fluorophenyl)methyl]-4-methylsulfanylaniline 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 N-[(4-fluorophenyl)methyl]-4-methylsulfanylaniline is sourced from PubChem (CID 22036205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).