2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline

C16H19NO2S — CID 43196698

IUPAC2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
SMILESCc1ccccc1NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H19NO2S/c1-12-6-4-5-7-16(12)17-13(2)14-8-10-15(11-9-14)20(3,18)19/h4-11,13,17H,1-3H3
InChIKeyZPAQKPQMIXHDSC-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.57
Rot. Bonds4

About 2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline

2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline (PubChem CID 43196698) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
PubChem CID43196698
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
SMILESCc1ccccc1NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H19NO2S/c1-12-6-4-5-7-16(12)17-13(2)14-8-10-15(11-9-14)20(3,18)19/h4-11,13,17H,1-3H3
InChIKeyZPAQKPQMIXHDSC-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-5-methylsulfonyl-N-(1-phenylethyl)aniline
CID 43685169
2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43196651
5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43104040
4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine
CID 94006047
3-fluoro-4-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43093299
4-iodo-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43124343
4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43194681
4-[1-(2-iodoanilino)ethyl]benzenesulfonamide
CID 43773421
N-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline
CID 43233045
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline
CID 43717680
5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine
CID 72876342
2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43109686

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline?
The IUPAC name of 2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline (CID 43196698) is 2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline?
The canonical SMILES for 2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline is Cc1ccccc1NC(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline?
The InChIKey is ZPAQKPQMIXHDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12-6-4-5-7-16(12)17-13(2)14-8-10-15(11-9-14)20(3,18)19/h4-11,13,17H,1-3H3.
What are the key properties of 2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline?
2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]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-N-[1-(4-methylsulfonylphenyl)ethyl]aniline is sourced from PubChem (CID 43196698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).