1-(4-fluoro-2-methylphenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanol

C15H24FNOS — CID 111565172

IUPAC1-(4-fluoro-2-methylphenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanol
SMILESCSCCC(C)N(C)CC(O)c1ccc(F)cc1C
InChIInChI=1S/C15H24FNOS/c1-11-9-13(16)5-6-14(11)15(18)10-17(3)12(2)7-8-19-4/h5-6,9,12,15,18H,7-8,10H2,1-4H3
InChIKeyPMRWFEUUBBRSTK-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.24
Rot. Bonds7

About 1-(4-fluoro-2-methylphenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanol

1-(4-fluoro-2-methylphenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanol (PubChem CID 111565172) has the molecular formula C15H24FNOS and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanol
PubChem CID111565172
Molecular FormulaC15H24FNOS
Molecular Weight285.43 g/mol
Exact Mass285.16
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanol
SMILESCSCCC(C)N(C)CC(O)c1ccc(F)cc1C
InChIInChI=1S/C15H24FNOS/c1-11-9-13(16)5-6-14(11)15(18)10-17(3)12(2)7-8-19-4/h5-6,9,12,15,18H,7-8,10H2,1-4H3
InChIKeyPMRWFEUUBBRSTK-UHFFFAOYSA-N
XLogP3.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115345951
[1-(4-fluoro-2-methylphenyl)-3-methylsulfanylpropyl]hydrazine
CID 105302462
3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79086972
1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
CID 111565148
1-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutan-1-ol
CID 103090072
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide
CID 109411515
2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide
CID 111564982
2-[cyclobutylmethyl(methyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565104
3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol
CID 111565095
1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol
CID 111564990
(1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol
CID 142421091

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanol (CID 111565172) is 1-(4-fluoro-2-methylphenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanol is CSCCC(C)N(C)CC(O)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanol?
The InChIKey is PMRWFEUUBBRSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNOS/c1-11-9-13(16)5-6-14(11)15(18)10-17(3)12(2)7-8-19-4/h5-6,9,12,15,18H,7-8,10H2,1-4H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanol?
1-(4-fluoro-2-methylphenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanol has a molecular weight of 285.43 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanol is sourced from PubChem (CID 111565172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).