N-methyl-2-methylsulfonyl-1-(2,4,6-trimethylphenyl)ethanamine

C13H21NO2S — CID 62786079

IUPACN-methyl-2-methylsulfonyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(CS(C)(=O)=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H21NO2S/c1-9-6-10(2)13(11(3)7-9)12(14-4)8-17(5,15)16/h6-7,12,14H,8H2,1-5H3
InChIKeyINOWVQTYLHVDFT-UHFFFAOYSA-N
MW255.38 g/mol
LogP1.92
Rot. Bonds4

About N-methyl-2-methylsulfonyl-1-(2,4,6-trimethylphenyl)ethanamine

N-methyl-2-methylsulfonyl-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 62786079) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-methyl-2-methylsulfonyl-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-methylsulfonyl-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID62786079
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-methyl-2-methylsulfonyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(CS(C)(=O)=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H21NO2S/c1-9-6-10(2)13(11(3)7-9)12(14-4)8-17(5,15)16/h6-7,12,14H,8H2,1-5H3
InChIKeyINOWVQTYLHVDFT-UHFFFAOYSA-N
XLogP1.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-methylsulfonyl-1-(2,4,6-trimethylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-(3-methylbutylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 107760379
1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 105016325
N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 43484222
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine
CID 106878162
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine
CID 79992082
3-methylsulfonyl-N-propyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 115848516
N-methyl-2-(2-methylpropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 64652449
N'-cyclopropyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 116950599
N-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 64610898
2-(2,6-dimethylpiperidin-1-yl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 63467280
2-(4-ethylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 115803077
2-(benzenesulfinyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64659824

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfonyl-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-methyl-2-methylsulfonyl-1-(2,4,6-trimethylphenyl)ethanamine (CID 62786079) is N-methyl-2-methylsulfonyl-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-methylsulfonyl-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-methylsulfonyl-1-(2,4,6-trimethylphenyl)ethanamine is CNC(CS(C)(=O)=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-methyl-2-methylsulfonyl-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is INOWVQTYLHVDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-9-6-10(2)13(11(3)7-9)12(14-4)8-17(5,15)16/h6-7,12,14H,8H2,1-5H3.
What are the key properties of N-methyl-2-methylsulfonyl-1-(2,4,6-trimethylphenyl)ethanamine?
N-methyl-2-methylsulfonyl-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 255.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfonyl-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 62786079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).