4-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2-methylsulfinylphenol

C19H25NO3S — CID 13372399

IUPAC4-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2-methylsulfinylphenol
SMILESCS(=O)c1cc(C(O)CNC(C)(C)Cc2ccccc2)ccc1O
InChIInChI=1S/C19H25NO3S/c1-19(2,12-14-7-5-4-6-8-14)20-13-17(22)15-9-10-16(21)18(11-15)24(3)23/h4-11,17,20-22H,12-13H2,1-3H3
InChIKeyXHVTUACMCZIWGM-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.77
Rot. Bonds7

About 4-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2-methylsulfinylphenol

4-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2-methylsulfinylphenol (PubChem CID 13372399) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2-methylsulfinylphenol.

Molecular Properties

Compound Name4-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2-methylsulfinylphenol
PubChem CID13372399
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name4-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2-methylsulfinylphenol
SMILESCS(=O)c1cc(C(O)CNC(C)(C)Cc2ccccc2)ccc1O
InChIInChI=1S/C19H25NO3S/c1-19(2,12-14-7-5-4-6-8-14)20-13-17(22)15-9-10-16(21)18(11-15)24(3)23/h4-11,17,20-22H,12-13H2,1-3H3
InChIKeyXHVTUACMCZIWGM-UHFFFAOYSA-N
XLogP2.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-5-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]phenyl]-N-methylmethanesulfonamide
CID 70497948
4-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]-2-methylsulfinylphenol;hydrochloride
CID 13372477
2-(hydroxymethyl)-4-[(1R)-1-hydroxy-2-[[2-methyl-1-[3-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]propan-2-yl]amino]ethyl]phenol
CID 11662930
2-[2-hydroxy-5-[1-hydroxy-2-[[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile
CID 21325152
4-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol
CID 24994231
N-[2-hydroxy-5-[1-hydroxy-2-[[2-methyl-1-[3-(2-oxopropyl)phenyl]propan-2-yl]amino]ethyl]phenyl]methanesulfonamide
CID 59776244
5-[1-hydroxy-2-[[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino]ethyl]benzene-1,3-diol;hydrobromide
CID 3084673
2-[3-[2-[[(2R)-2-[3-(carbamoylamino)-4-hydroxyphenyl]-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-(4-phenylbutyl)acetamide
CID 90963534
3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]butanoic acid
CID 114264140
4-[1-hydroxy-2-[4-(pyrimidin-5-ylmethoxy)butylamino]ethyl]-2-methylsulfinylphenol
CID 70533815
N-[(2,6-dimethoxyphenyl)methyl]-2-[3-[2-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-2-methylpropyl]phenyl]acetamide
CID 69024114
5-hydroxy-7-[(1R)-1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-3H-1,3-benzothiazol-2-one
CID 66743967

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2-methylsulfinylphenol?
The IUPAC name of 4-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2-methylsulfinylphenol (CID 13372399) is 4-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2-methylsulfinylphenol.
What is the SMILES notation for 4-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2-methylsulfinylphenol?
The canonical SMILES for 4-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2-methylsulfinylphenol is CS(=O)c1cc(C(O)CNC(C)(C)Cc2ccccc2)ccc1O.
What is the InChIKey of 4-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2-methylsulfinylphenol?
The InChIKey is XHVTUACMCZIWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-19(2,12-14-7-5-4-6-8-14)20-13-17(22)15-9-10-16(21)18(11-15)24(3)23/h4-11,17,20-22H,12-13H2,1-3H3.
What are the key properties of 4-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2-methylsulfinylphenol?
4-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2-methylsulfinylphenol has a molecular weight of 347.48 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2-methylsulfinylphenol is sourced from PubChem (CID 13372399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).