1-(methylamino)-3-(4-methylsulfanylphenoxy)propan-2-ol

C11H17NO2S — CID 63647814

IUPAC1-(methylamino)-3-(4-methylsulfanylphenoxy)propan-2-ol
SMILESCNCC(O)COc1ccc(SC)cc1
InChIInChI=1S/C11H17NO2S/c1-12-7-9(13)8-14-10-3-5-11(15-2)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyNAFQBQGQFJSKGY-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.37
Rot. Bonds6

About 1-(methylamino)-3-(4-methylsulfanylphenoxy)propan-2-ol

1-(methylamino)-3-(4-methylsulfanylphenoxy)propan-2-ol (PubChem CID 63647814) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-(methylamino)-3-(4-methylsulfanylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-(4-methylsulfanylphenoxy)propan-2-ol
PubChem CID63647814
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name1-(methylamino)-3-(4-methylsulfanylphenoxy)propan-2-ol
SMILESCNCC(O)COc1ccc(SC)cc1
InChIInChI=1S/C11H17NO2S/c1-12-7-9(13)8-14-10-3-5-11(15-2)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyNAFQBQGQFJSKGY-UHFFFAOYSA-N
XLogP1.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylsulfanylphenoxy)-3-(propylamino)propan-2-ol
CID 63647813
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
1-(4-benzylphenoxy)-3-(methylamino)propan-2-ol
CID 62274722
(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 58991188
1-(2,3-dimethylbutoxy)-4-methylsulfanylbenzene
CID 170050280
(2R)-1-(3,5-dichlorophenoxy)-3-(methylamino)propan-2-ol
CID 39352654
1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 43188013
1-[4-(1,2-diphenylbut-1-enyl)phenoxy]-3-(methylamino)propan-2-ol
CID 67847195
methyl 2-bromo-3-(4-methylsulfanylphenoxy)propanoate
CID 81091914
1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene
CID 70368066
2-acetamido-3-(4-methylsulfanylphenoxy)propanoic acid
CID 65441613

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(4-methylsulfanylphenoxy)propan-2-ol?
The IUPAC name of 1-(methylamino)-3-(4-methylsulfanylphenoxy)propan-2-ol (CID 63647814) is 1-(methylamino)-3-(4-methylsulfanylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-(4-methylsulfanylphenoxy)propan-2-ol?
The canonical SMILES for 1-(methylamino)-3-(4-methylsulfanylphenoxy)propan-2-ol is CNCC(O)COc1ccc(SC)cc1.
What is the InChIKey of 1-(methylamino)-3-(4-methylsulfanylphenoxy)propan-2-ol?
The InChIKey is NAFQBQGQFJSKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-12-7-9(13)8-14-10-3-5-11(15-2)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3.
What are the key properties of 1-(methylamino)-3-(4-methylsulfanylphenoxy)propan-2-ol?
1-(methylamino)-3-(4-methylsulfanylphenoxy)propan-2-ol has a molecular weight of 227.33 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(4-methylsulfanylphenoxy)propan-2-ol is sourced from PubChem (CID 63647814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).