2-(methylamino)-1-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]ethanol

C14H23NO3S — CID 117108182

IUPAC2-(methylamino)-1-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]ethanol
SMILESCNCC(O)c1ccc(C(C)(C)CS(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-14(2,10-19(4,17)18)12-7-5-11(6-8-12)13(16)9-15-3/h5-8,13,15-16H,9-10H2,1-4H3
InChIKeyHVNBQWXWEUAYMS-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.26
Rot. Bonds6

About 2-(methylamino)-1-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]ethanol

2-(methylamino)-1-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]ethanol (PubChem CID 117108182) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(methylamino)-1-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-(methylamino)-1-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]ethanol
PubChem CID117108182
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name2-(methylamino)-1-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]ethanol
SMILESCNCC(O)c1ccc(C(C)(C)CS(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-14(2,10-19(4,17)18)12-7-5-11(6-8-12)13(16)9-15-3/h5-8,13,15-16H,9-10H2,1-4H3
InChIKeyHVNBQWXWEUAYMS-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]ethanol?
The IUPAC name of 2-(methylamino)-1-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]ethanol (CID 117108182) is 2-(methylamino)-1-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]ethanol.
What is the SMILES notation for 2-(methylamino)-1-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]ethanol?
The canonical SMILES for 2-(methylamino)-1-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]ethanol is CNCC(O)c1ccc(C(C)(C)CS(C)(=O)=O)cc1.
What is the InChIKey of 2-(methylamino)-1-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]ethanol?
The InChIKey is HVNBQWXWEUAYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-14(2,10-19(4,17)18)12-7-5-11(6-8-12)13(16)9-15-3/h5-8,13,15-16H,9-10H2,1-4H3.
What are the key properties of 2-(methylamino)-1-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]ethanol?
2-(methylamino)-1-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]ethanol has a molecular weight of 285.41 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]ethanol is sourced from PubChem (CID 117108182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).