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

C18H23NOS — CID 64659824

IUPAC2-(benzenesulfinyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(CS(=O)c1ccccc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H23NOS/c1-13-10-14(2)18(15(3)11-13)17(19-4)12-21(20)16-8-6-5-7-9-16/h5-11,17,19H,12H2,1-4H3
InChIKeyOZLHROGLINHKAL-UHFFFAOYSA-N
MW301.45 g/mol
LogP3.68
Rot. Bonds5

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

2-(benzenesulfinyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 64659824) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(benzenesulfinyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID64659824
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC Name2-(benzenesulfinyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(CS(=O)c1ccccc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H23NOS/c1-13-10-14(2)18(15(3)11-13)17(19-4)12-21(20)16-8-6-5-7-9-16/h5-11,17,19H,12H2,1-4H3
InChIKeyOZLHROGLINHKAL-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(benzenesulfinyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine (CID 64659824) is 2-(benzenesulfinyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(benzenesulfinyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(benzenesulfinyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine is CNC(CS(=O)c1ccccc1)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(benzenesulfinyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is OZLHROGLINHKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-13-10-14(2)18(15(3)11-13)17(19-4)12-21(20)16-8-6-5-7-9-16/h5-11,17,19H,12H2,1-4H3.
What are the key properties of 2-(benzenesulfinyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine?
2-(benzenesulfinyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 301.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 64659824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).