1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine

C12H19NO2S — CID 82360037

IUPAC1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine
SMILESCc1ccc(C(N)C(C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C12H19NO2S/c1-8-5-6-11(9(2)7-8)12(13)10(3)16(4,14)15/h5-7,10,12H,13H2,1-4H3
InChIKeyKWYDUTMMVWBADU-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.74
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine

1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine (PubChem CID 82360037) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine
PubChem CID82360037
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine
SMILESCc1ccc(C(N)C(C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C12H19NO2S/c1-8-5-6-11(9(2)7-8)12(13)10(3)16(4,14)15/h5-7,10,12H,13H2,1-4H3
InChIKeyKWYDUTMMVWBADU-UHFFFAOYSA-N
XLogP1.74
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
CID 131023872
1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine
CID 64646609
1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine
CID 82360034
2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol
CID 116942340
2-methylsulfonyl-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 113421969
[1-(2,5-dimethylphenyl)-2-methylsulfonylpropyl]hydrazine
CID 105292563
3,4-diamino-4-(2,4-dimethylphenyl)butanoic acid
CID 116942779
1-(2,4-dimethylphenyl)-3-methylsulfonylpropan-1-ol
CID 65148088
1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane
CID 91220313
(S)-(2,4-dimethylphenyl)-(3-methylsulfonylphenyl)methanamine
CID 28500829
(R)-(2,4-dimethylphenyl)-(3-methylsulfonylphenyl)methanamine
CID 28500831
1-(2,4-dimethylphenyl)-4-methylsulfonylbutan-1-ol
CID 65147990

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine (CID 82360037) is 1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine is Cc1ccc(C(N)C(C)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine?
The InChIKey is KWYDUTMMVWBADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-8-5-6-11(9(2)7-8)12(13)10(3)16(4,14)15/h5-7,10,12H,13H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine?
1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine has a molecular weight of 241.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 82360037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).