N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline

C15H16FNS — CID 43225069

IUPACN-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline
SMILESCSc1ccccc1NC(C)c1ccc(F)cc1
InChIInChI=1S/C15H16FNS/c1-11(12-7-9-13(16)10-8-12)17-14-5-3-4-6-15(14)18-2/h3-11,17H,1-2H3
InChIKeyDWVNASUOSVFOOJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.72
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline

N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline (PubChem CID 43225069) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline
PubChem CID43225069
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline
SMILESCSc1ccccc1NC(C)c1ccc(F)cc1
InChIInChI=1S/C15H16FNS/c1-11(12-7-9-13(16)10-8-12)17-14-5-3-4-6-15(14)18-2/h3-11,17H,1-2H3
InChIKeyDWVNASUOSVFOOJ-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(2-methylsulfanylanilino)ethyl]phenol
CID 43683440
3-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43085619
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methylsulfanylaniline
CID 43683480
N-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline
CID 102868390
2-[1-(2-methylsulfanylanilino)ethyl]phenol
CID 43683498
N-[1-(4-chlorophenyl)ethyl]-2-(trifluoromethylsulfanyl)aniline
CID 43676688
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylaniline
CID 102976894
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
1-(4-fluorophenyl)-N-methylsulfanylethanamine
CID 155699559
3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-nitroaniline
CID 61226059
2,5-difluoro-N-(1-phenylethyl)aniline
CID 43178058
2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43088282

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline (CID 43225069) is N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline is CSc1ccccc1NC(C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline?
The InChIKey is DWVNASUOSVFOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c1-11(12-7-9-13(16)10-8-12)17-14-5-3-4-6-15(14)18-2/h3-11,17H,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline?
N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline has a molecular weight of 261.37 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline is sourced from PubChem (CID 43225069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).