2-methyl-5-methylsulfonyl-N-(1-phenylethyl)aniline

C16H19NO2S — CID 43685169

IUPAC2-methyl-5-methylsulfonyl-N-(1-phenylethyl)aniline
SMILESCc1ccc(S(C)(=O)=O)cc1NC(C)c1ccccc1
InChIInChI=1S/C16H19NO2S/c1-12-9-10-15(20(3,18)19)11-16(12)17-13(2)14-7-5-4-6-8-14/h4-11,13,17H,1-3H3
InChIKeyXVIMULZCJWURRK-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.57
Rot. Bonds4

About 2-methyl-5-methylsulfonyl-N-(1-phenylethyl)aniline

2-methyl-5-methylsulfonyl-N-(1-phenylethyl)aniline (PubChem CID 43685169) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-(1-phenylethyl)aniline.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-(1-phenylethyl)aniline
PubChem CID43685169
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-methyl-5-methylsulfonyl-N-(1-phenylethyl)aniline
SMILESCc1ccc(S(C)(=O)=O)cc1NC(C)c1ccccc1
InChIInChI=1S/C16H19NO2S/c1-12-9-10-15(20(3,18)19)11-16(12)17-13(2)14-7-5-4-6-8-14/h4-11,13,17H,1-3H3
InChIKeyXVIMULZCJWURRK-UHFFFAOYSA-N
XLogP3.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43196698
5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43104040
N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide
CID 27990757
2-chloro-N-[1-(3-methylphenyl)ethyl]-5-methylsulfonylaniline
CID 43780658
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline
CID 43717680
3-[1-(2-bromophenyl)ethylamino]-4-methylbenzenesulfonamide
CID 43744252
N-(dicyclopropylmethyl)-2-methyl-5-methylsulfonylaniline
CID 43685167
N-heptan-2-yl-2-methyl-5-methylsulfonylaniline
CID 43685058
4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide
CID 43764060
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
2-[(2-methyl-5-methylsulfonylphenyl)sulfamoyl]propanoic acid
CID 61454449
3-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione
CID 154184551

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-(1-phenylethyl)aniline?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-(1-phenylethyl)aniline (CID 43685169) is 2-methyl-5-methylsulfonyl-N-(1-phenylethyl)aniline.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-(1-phenylethyl)aniline?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-(1-phenylethyl)aniline is Cc1ccc(S(C)(=O)=O)cc1NC(C)c1ccccc1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-(1-phenylethyl)aniline?
The InChIKey is XVIMULZCJWURRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12-9-10-15(20(3,18)19)11-16(12)17-13(2)14-7-5-4-6-8-14/h4-11,13,17H,1-3H3.
What are the key properties of 2-methyl-5-methylsulfonyl-N-(1-phenylethyl)aniline?
2-methyl-5-methylsulfonyl-N-(1-phenylethyl)aniline has a molecular weight of 289.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-(1-phenylethyl)aniline is sourced from PubChem (CID 43685169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).