1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol

C13H21NOS — CID 112661774

IUPAC1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol
SMILESCSCC(C)N(C)c1ccccc1C(C)O
InChIInChI=1S/C13H21NOS/c1-10(9-16-4)14(3)13-8-6-5-7-12(13)11(2)15/h5-8,10-11,15H,9H2,1-4H3
InChIKeyVZDZVGKAUFYQTR-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.93
Rot. Bonds5

About 1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol

1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol (PubChem CID 112661774) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol
PubChem CID112661774
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol
SMILESCSCC(C)N(C)c1ccccc1C(C)O
InChIInChI=1S/C13H21NOS/c1-10(9-16-4)14(3)13-8-6-5-7-12(13)11(2)15/h5-8,10-11,15H,9H2,1-4H3
InChIKeyVZDZVGKAUFYQTR-UHFFFAOYSA-N
XLogP2.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[methyl(pentan-2-yl)amino]phenyl]ethanol
CID 78939754
(1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol
CID 78939770
(1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol
CID 78940310
(1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 63371150
(1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]propan-1-ol
CID 113359068
(1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 63371731
(1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol
CID 78939531
1-[3-bromo-4-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol
CID 112661787
1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol
CID 43510195
(1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol
CID 63370824
4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol
CID 104869306
2-[(1S)-1-aminopropyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 103959110

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol?
The IUPAC name of 1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol (CID 112661774) is 1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol?
The canonical SMILES for 1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol is CSCC(C)N(C)c1ccccc1C(C)O.
What is the InChIKey of 1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol?
The InChIKey is VZDZVGKAUFYQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10(9-16-4)14(3)13-8-6-5-7-12(13)11(2)15/h5-8,10-11,15H,9H2,1-4H3.
What are the key properties of 1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol?
1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol has a molecular weight of 239.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol is sourced from PubChem (CID 112661774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).