4-fluoro-N-methyl-N-(2-phenylsulfanylethyl)aniline

C15H16FNS — CID 79315040

IUPAC4-fluoro-N-methyl-N-(2-phenylsulfanylethyl)aniline
SMILESCN(CCSc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H16FNS/c1-17(14-9-7-13(16)8-10-14)11-12-18-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
InChIKeyCJILQMCCRGVFCC-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.05
Rot. Bonds5

About 4-fluoro-N-methyl-N-(2-phenylsulfanylethyl)aniline

4-fluoro-N-methyl-N-(2-phenylsulfanylethyl)aniline (PubChem CID 79315040) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(2-phenylsulfanylethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(2-phenylsulfanylethyl)aniline
PubChem CID79315040
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name4-fluoro-N-methyl-N-(2-phenylsulfanylethyl)aniline
SMILESCN(CCSc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H16FNS/c1-17(14-9-7-13(16)8-10-14)11-12-18-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
InChIKeyCJILQMCCRGVFCC-UHFFFAOYSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methyl(2-phenylsulfanylethyl)amino]benzonitrile
CID 79222499
N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine
CID 78962431
4-fluoro-N-methyl-N-propylaniline
CID 23197529
2-[N-[2-(4-fluorophenyl)sulfanylethyl]anilino]acetic acid
CID 60839946
2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine
CID 78993096
N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine
CID 15762909
N-butyl-4-fluoro-N-methylaniline
CID 70573878
N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 112760111
2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-2-methylpropanoic acid
CID 62821777
4-fluoro-N-methyl-N-phenylaniline
CID 54288754
2-(4-fluorophenyl)-4-phenylsulfanylbutanoic acid
CID 79435489
N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645224

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(2-phenylsulfanylethyl)aniline?
The IUPAC name of 4-fluoro-N-methyl-N-(2-phenylsulfanylethyl)aniline (CID 79315040) is 4-fluoro-N-methyl-N-(2-phenylsulfanylethyl)aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-(2-phenylsulfanylethyl)aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-(2-phenylsulfanylethyl)aniline is CN(CCSc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-(2-phenylsulfanylethyl)aniline?
The InChIKey is CJILQMCCRGVFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c1-17(14-9-7-13(16)8-10-14)11-12-18-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3.
What are the key properties of 4-fluoro-N-methyl-N-(2-phenylsulfanylethyl)aniline?
4-fluoro-N-methyl-N-(2-phenylsulfanylethyl)aniline has a molecular weight of 261.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(2-phenylsulfanylethyl)aniline is sourced from PubChem (CID 79315040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).