2-methyl-1-methylsulfanyl-3-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol

C15H25NO2S — CID 103682845

IUPAC2-methyl-1-methylsulfanyl-3-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
SMILESCSCC(C)(O)CNCc1ccccc1OC(C)C
InChIInChI=1S/C15H25NO2S/c1-12(2)18-14-8-6-5-7-13(14)9-16-10-15(3,17)11-19-4/h5-8,12,16-17H,9-11H2,1-4H3
InChIKeyHSIZSDCIUOROHI-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.68
Rot. Bonds8

About 2-methyl-1-methylsulfanyl-3-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol

2-methyl-1-methylsulfanyl-3-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol (PubChem CID 103682845) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
PubChem CID103682845
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name2-methyl-1-methylsulfanyl-3-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
SMILESCSCC(C)(O)CNCc1ccccc1OC(C)C
InChIInChI=1S/C15H25NO2S/c1-12(2)18-14-8-6-5-7-13(14)9-16-10-15(3,17)11-19-4/h5-8,12,16-17H,9-11H2,1-4H3
InChIKeyHSIZSDCIUOROHI-UHFFFAOYSA-N
XLogP2.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-methylsulfanyl-3-[(4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 103682969
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
2-fluoro-3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]benzonitrile
CID 106246974
2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine
CID 114615444
1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol
CID 111118941
3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43220682
3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39369011
3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 115733033
2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43221119
1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
CID 63462925
1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 111969416
2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750185

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol (CID 103682845) is 2-methyl-1-methylsulfanyl-3-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol is CSCC(C)(O)CNCc1ccccc1OC(C)C.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol?
The InChIKey is HSIZSDCIUOROHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-12(2)18-14-8-6-5-7-13(14)9-16-10-15(3,17)11-19-4/h5-8,12,16-17H,9-11H2,1-4H3.
What are the key properties of 2-methyl-1-methylsulfanyl-3-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol?
2-methyl-1-methylsulfanyl-3-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol has a molecular weight of 283.44 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 103682845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).