2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)aniline

C14H23FN2S — CID 103955086

IUPAC2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)aniline
SMILESCSCC(C)N(C)c1cc(C)c(F)cc1[C@H](C)N
InChIInChI=1S/C14H23FN2S/c1-9-6-14(17(4)10(2)8-18-5)12(11(3)16)7-13(9)15/h6-7,10-11H,8,16H2,1-5H3/t10?,11-/m0/s1
InChIKeyZHFSVYRMPVWEOC-DTIOYNMSSA-N
MW270.42 g/mol
LogP3.34
Rot. Bonds5

About 2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)aniline

2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)aniline (PubChem CID 103955086) has the molecular formula C14H23FN2S and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)aniline.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)aniline
PubChem CID103955086
Molecular FormulaC14H23FN2S
Molecular Weight270.42 g/mol
Exact Mass270.16
IUPAC Name2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)aniline
SMILESCSCC(C)N(C)c1cc(C)c(F)cc1[C@H](C)N
InChIInChI=1S/C14H23FN2S/c1-9-6-14(17(4)10(2)8-18-5)12(11(3)16)7-13(9)15/h6-7,10-11H,8,16H2,1-5H3/t10?,11-/m0/s1
InChIKeyZHFSVYRMPVWEOC-DTIOYNMSSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 103955080
2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-pent-4-enylaniline
CID 104869696
2-[4-fluoro-N,5-dimethyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol
CID 113426082
2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline
CID 107399251
2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112660564
4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine
CID 112657072
1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol
CID 112661699
2-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol
CID 102863551
2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol
CID 102863487
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine
CID 116830356
2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112666798
N-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine
CID 82740352

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)aniline?
The IUPAC name of 2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)aniline (CID 103955086) is 2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)aniline.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)aniline?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)aniline is CSCC(C)N(C)c1cc(C)c(F)cc1[C@H](C)N.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)aniline?
The InChIKey is ZHFSVYRMPVWEOC-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H23FN2S/c1-9-6-14(17(4)10(2)8-18-5)12(11(3)16)7-13(9)15/h6-7,10-11H,8,16H2,1-5H3/t10?,11-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)aniline?
2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)aniline has a molecular weight of 270.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)aniline is sourced from PubChem (CID 103955086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).