N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline

C15H15F2NS — CID 43192263

IUPACN-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline
SMILESCSc1ccc(NC(C)c2c(F)cccc2F)cc1
InChIInChI=1S/C15H15F2NS/c1-10(15-13(16)4-3-5-14(15)17)18-11-6-8-12(19-2)9-7-11/h3-10,18H,1-2H3
InChIKeyDQJRKXXHZLRAGR-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.86
Rot. Bonds4

About N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline

N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline (PubChem CID 43192263) has the molecular formula C15H15F2NS and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline
PubChem CID43192263
Molecular FormulaC15H15F2NS
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline
SMILESCSc1ccc(NC(C)c2c(F)cccc2F)cc1
InChIInChI=1S/C15H15F2NS/c1-10(15-13(16)4-3-5-14(15)17)18-11-6-8-12(19-2)9-7-11/h3-10,18H,1-2H3
InChIKeyDQJRKXXHZLRAGR-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

N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline
CID 43191040
2-[4-[1-(2,6-difluorophenyl)ethylamino]phenyl]ethanol
CID 61236588
N-[1-(2,6-difluorophenyl)ethyl]-4-[(dimethylamino)methyl]aniline
CID 43747251
4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 115916765
3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline
CID 107572509
4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43103988
3-[1-(4-methylsulfanylanilino)ethyl]phenol
CID 43192285
N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline
CID 43192256
N-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine
CID 43687757
[(2,6-difluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105308115
N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine
CID 82684718
2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile
CID 43686857

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline (CID 43192263) is N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline is CSc1ccc(NC(C)c2c(F)cccc2F)cc1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline?
The InChIKey is DQJRKXXHZLRAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NS/c1-10(15-13(16)4-3-5-14(15)17)18-11-6-8-12(19-2)9-7-11/h3-10,18H,1-2H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline?
N-[1-(2,6-difluorophenyl)ethyl]-4-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]-4-methylsulfanylaniline is sourced from PubChem (CID 43192263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).