N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline

C15H15F2NS — CID 43191040

IUPACN-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline
SMILESCSc1cccc(NC(C)c2c(F)cccc2F)c1
InChIInChI=1S/C15H15F2NS/c1-10(15-13(16)7-4-8-14(15)17)18-11-5-3-6-12(9-11)19-2/h3-10,18H,1-2H3
InChIKeyWAQJPSJABRONBI-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.86
Rot. Bonds4

About N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline

N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline (PubChem CID 43191040) has the molecular formula C15H15F2NS and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline
PubChem CID43191040
Molecular FormulaC15H15F2NS
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline
SMILESCSc1cccc(NC(C)c2c(F)cccc2F)c1
InChIInChI=1S/C15H15F2NS/c1-10(15-13(16)7-4-8-14(15)17)18-11-5-3-6-12(9-11)19-2/h3-10,18H,1-2H3
InChIKeyWAQJPSJABRONBI-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-methylsulfanylanilino)ethyl]benzene-1,3-diol
CID 107710302
N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline
CID 43192263
N-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline
CID 43191048
N-[1-(4-tert-butylphenyl)ethyl]-3-methylsulfanylaniline
CID 43107208
N-butan-2-yl-3-methylsulfanylaniline
CID 43191081
3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide
CID 43098562
3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline
CID 107572509
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylsulfanylaniline
CID 43177642
N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline
CID 62534680
3-methylsulfanyl-N-[1-(4-nitrophenyl)ethyl]aniline
CID 43297261
3-methylsulfanyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43757342
N-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine
CID 43687757

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline (CID 43191040) is N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline is CSc1cccc(NC(C)c2c(F)cccc2F)c1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline?
The InChIKey is WAQJPSJABRONBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NS/c1-10(15-13(16)7-4-8-14(15)17)18-11-5-3-6-12(9-11)19-2/h3-10,18H,1-2H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline?
N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline has a molecular weight of 279.36 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline is sourced from PubChem (CID 43191040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).