N-[1-(2,6-difluorophenyl)ethyl]-2-ethyl-2-methylsulfanylbutan-1-amine

C15H23F2NS — CID 103711309

IUPACN-[1-(2,6-difluorophenyl)ethyl]-2-ethyl-2-methylsulfanylbutan-1-amine
SMILESCCC(CC)(CNC(C)c1c(F)cccc1F)SC
InChIInChI=1S/C15H23F2NS/c1-5-15(6-2,19-4)10-18-11(3)14-12(16)8-7-9-13(14)17/h7-9,11,18H,5-6,10H2,1-4H3
InChIKeyRVGXXVFGVNYCDQ-UHFFFAOYSA-N
MW287.42 g/mol
LogP4.54
Rot. Bonds7

About N-[1-(2,6-difluorophenyl)ethyl]-2-ethyl-2-methylsulfanylbutan-1-amine

N-[1-(2,6-difluorophenyl)ethyl]-2-ethyl-2-methylsulfanylbutan-1-amine (PubChem CID 103711309) has the molecular formula C15H23F2NS and a molecular weight of 287.42 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-2-ethyl-2-methylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-2-ethyl-2-methylsulfanylbutan-1-amine
PubChem CID103711309
Molecular FormulaC15H23F2NS
Molecular Weight287.42 g/mol
Exact Mass287.15
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-2-ethyl-2-methylsulfanylbutan-1-amine
SMILESCCC(CC)(CNC(C)c1c(F)cccc1F)SC
InChIInChI=1S/C15H23F2NS/c1-5-15(6-2,19-4)10-18-11(3)14-12(16)8-7-9-13(14)17/h7-9,11,18H,5-6,10H2,1-4H3
InChIKeyRVGXXVFGVNYCDQ-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2,6-difluorophenyl)ethyl]-2-ethyl-2-methylsulfanylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
N-[1-(2,6-difluorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115760935
2-ethyl-N-[1-(2-methoxyphenyl)ethyl]-2-methylsulfanylbutan-1-amine
CID 103787189
1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol
CID 43499407
N-[(2,3-difluorophenyl)methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 113243609
3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide
CID 113383872
2-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]-6-fluorophenol
CID 103948928
1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784261
4-[1-[(2-ethyl-2-methylsulfanylbutyl)amino]ethyl]benzenesulfonamide
CID 103911044
N-butan-2-yl-2-ethyl-2-methylsulfanylbutan-1-amine
CID 103787204
3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol
CID 65034042
N-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide
CID 114115952

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-2-ethyl-2-methylsulfanylbutan-1-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-2-ethyl-2-methylsulfanylbutan-1-amine (CID 103711309) is N-[1-(2,6-difluorophenyl)ethyl]-2-ethyl-2-methylsulfanylbutan-1-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-2-ethyl-2-methylsulfanylbutan-1-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-2-ethyl-2-methylsulfanylbutan-1-amine is CCC(CC)(CNC(C)c1c(F)cccc1F)SC.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-2-ethyl-2-methylsulfanylbutan-1-amine?
The InChIKey is RVGXXVFGVNYCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NS/c1-5-15(6-2,19-4)10-18-11(3)14-12(16)8-7-9-13(14)17/h7-9,11,18H,5-6,10H2,1-4H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-2-ethyl-2-methylsulfanylbutan-1-amine?
N-[1-(2,6-difluorophenyl)ethyl]-2-ethyl-2-methylsulfanylbutan-1-amine has a molecular weight of 287.42 g/mol, XLogP of 4.54, 7 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]-2-ethyl-2-methylsulfanylbutan-1-amine is sourced from PubChem (CID 103711309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).