2-methyl-2-[(4-methylsulfinylphenyl)methylamino]propan-1-ol

C12H19NO2S — CID 71973291

IUPAC2-methyl-2-[(4-methylsulfinylphenyl)methylamino]propan-1-ol
SMILESCS(=O)c1ccc(CNC(C)(C)CO)cc1
InChIInChI=1S/C12H19NO2S/c1-12(2,9-14)13-8-10-4-6-11(7-5-10)16(3)15/h4-7,13-14H,8-9H2,1-3H3
InChIKeyUZGBITXRKXRAJZ-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.28
Rot. Bonds5

About 2-methyl-2-[(4-methylsulfinylphenyl)methylamino]propan-1-ol

2-methyl-2-[(4-methylsulfinylphenyl)methylamino]propan-1-ol (PubChem CID 71973291) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-methyl-2-[(4-methylsulfinylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(4-methylsulfinylphenyl)methylamino]propan-1-ol
PubChem CID71973291
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-methyl-2-[(4-methylsulfinylphenyl)methylamino]propan-1-ol
SMILESCS(=O)c1ccc(CNC(C)(C)CO)cc1
InChIInChI=1S/C12H19NO2S/c1-12(2,9-14)13-8-10-4-6-11(7-5-10)16(3)15/h4-7,13-14H,8-9H2,1-3H3
InChIKeyUZGBITXRKXRAJZ-UHFFFAOYSA-N
XLogP1.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(4-methylsulfinylphenyl)methyl]pentan-2-amine
CID 71922652
4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]benzoic acid;hydrochloride
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2,2-dimethyl-N-[(4-methylsulfinylphenyl)methyl]propan-1-amine
CID 115682820
4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]benzene-1,2-diol
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2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
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tert-butyl N-[[4-[(S)-methylsulfinyl]phenyl]methyl]carbamate
CID 95974235
N-[(4-methylsulfinylphenyl)methyl]formamide
CID 144669609
2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol
CID 2958853
2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol
CID 28725557
2-(1,3-benzodioxol-5-yl)-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]propan-2-amine
CID 96528771
2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 75355894
3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-methylsulfinylphenyl)methylamino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(4-methylsulfinylphenyl)methylamino]propan-1-ol (CID 71973291) is 2-methyl-2-[(4-methylsulfinylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(4-methylsulfinylphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(4-methylsulfinylphenyl)methylamino]propan-1-ol is CS(=O)c1ccc(CNC(C)(C)CO)cc1.
What is the InChIKey of 2-methyl-2-[(4-methylsulfinylphenyl)methylamino]propan-1-ol?
The InChIKey is UZGBITXRKXRAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-12(2,9-14)13-8-10-4-6-11(7-5-10)16(3)15/h4-7,13-14H,8-9H2,1-3H3.
What are the key properties of 2-methyl-2-[(4-methylsulfinylphenyl)methylamino]propan-1-ol?
2-methyl-2-[(4-methylsulfinylphenyl)methylamino]propan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-methylsulfinylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 71973291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).