1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol

C13H20FNOS — CID 112661699

IUPAC1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol
SMILESCSCCN(C)c1cc(C)c(F)cc1C(C)O
InChIInChI=1S/C13H20FNOS/c1-9-7-13(15(3)5-6-17-4)11(10(2)16)8-12(9)14/h7-8,10,16H,5-6H2,1-4H3
InChIKeyQMIQSGRJVUXNAV-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.99
Rot. Bonds5

About 1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol

1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol (PubChem CID 112661699) has the molecular formula C13H20FNOS and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol
PubChem CID112661699
Molecular FormulaC13H20FNOS
Molecular Weight257.37 g/mol
Exact Mass257.12
IUPAC Name1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol
SMILESCSCCN(C)c1cc(C)c(F)cc1C(C)O
InChIInChI=1S/C13H20FNOS/c1-9-7-13(15(3)5-6-17-4)11(10(2)16)8-12(9)14/h7-8,10,16H,5-6H2,1-4H3
InChIKeyQMIQSGRJVUXNAV-UHFFFAOYSA-N
XLogP2.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-fluoro-4-methyl-2-[methyl(2-methylprop-2-enyl)amino]phenyl]ethanol
CID 113498682
(1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol
CID 104873578
4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol
CID 104985520
1-[5-fluoro-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-methylphenyl]ethanol
CID 107481059
2-(1-aminoethyl)-4-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 112660506
2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 103955086
(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol
CID 116831182
2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-pent-4-enylaniline
CID 104869696
1-[5-fluoro-4-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]phenyl]ethanone
CID 81055237
(1S)-1-[2-[methyl(2-methylsulfanylethyl)amino]-4-pyridinyl]ethanol
CID 103955125
(1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol
CID 103960340

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol?
The IUPAC name of 1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol (CID 112661699) is 1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol is CSCCN(C)c1cc(C)c(F)cc1C(C)O.
What is the InChIKey of 1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol?
The InChIKey is QMIQSGRJVUXNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNOS/c1-9-7-13(15(3)5-6-17-4)11(10(2)16)8-12(9)14/h7-8,10,16H,5-6H2,1-4H3.
What are the key properties of 1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol?
1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol has a molecular weight of 257.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol is sourced from PubChem (CID 112661699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).