2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline

C14H23FN2S — CID 112660564

IUPAC2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
SMILESCCC(CSC)N(C)c1ccc(F)cc1C(C)N
InChIInChI=1S/C14H23FN2S/c1-5-12(9-18-4)17(3)14-7-6-11(15)8-13(14)10(2)16/h6-8,10,12H,5,9,16H2,1-4H3
InChIKeyFASXIGYQXMZZOT-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.42
Rot. Bonds6

About 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline

2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline (PubChem CID 112660564) has the molecular formula C14H23FN2S and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
PubChem CID112660564
Molecular FormulaC14H23FN2S
Molecular Weight270.42 g/mol
Exact Mass270.16
IUPAC Name2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
SMILESCCC(CSC)N(C)c1ccc(F)cc1C(C)N
InChIInChI=1S/C14H23FN2S/c1-5-12(9-18-4)17(3)14-7-6-11(15)8-13(14)10(2)16/h6-8,10,12H,5,9,16H2,1-4H3
InChIKeyFASXIGYQXMZZOT-UHFFFAOYSA-N
XLogP3.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline 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

2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 103955080
4-fluoro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)benzene-1,2-diamine
CID 112656941
2-(1-aminoethyl)-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112660582
2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 43570188
2-(1-aminoethyl)-4-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 112660506
2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
CID 43188896
3-[2-[(1R)-1-aminoethyl]-4-fluoro-N-methylanilino]butanenitrile
CID 63369266
2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-4-fluoro-N-methylaniline
CID 62978142
2-[(1S)-1-aminopropyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 103959110
1-(4-fluorophenyl)-1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)propane-1,2-diamine
CID 112657564
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112660621
2-N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189397

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline?
The IUPAC name of 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline (CID 112660564) is 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline.
What is the SMILES notation for 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline?
The canonical SMILES for 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline is CCC(CSC)N(C)c1ccc(F)cc1C(C)N.
What is the InChIKey of 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline?
The InChIKey is FASXIGYQXMZZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2S/c1-5-12(9-18-4)17(3)14-7-6-11(15)8-13(14)10(2)16/h6-8,10,12H,5,9,16H2,1-4H3.
What are the key properties of 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline?
2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline has a molecular weight of 270.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline is sourced from PubChem (CID 112660564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).