1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine

C12H19NO2S — CID 62543737

IUPAC1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine
SMILESCCc1ccc(C(CS(C)(=O)=O)NC)cc1
InChIInChI=1S/C12H19NO2S/c1-4-10-5-7-11(8-6-10)12(13-2)9-16(3,14)15/h5-8,12-13H,4,9H2,1-3H3
InChIKeyWDBBURCVPYCRBP-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.55
Rot. Bonds5

About 1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine

1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine (PubChem CID 62543737) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine
PubChem CID62543737
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine
SMILESCCc1ccc(C(CS(C)(=O)=O)NC)cc1
InChIInChI=1S/C12H19NO2S/c1-4-10-5-7-11(8-6-10)12(13-2)9-16(3,14)15/h5-8,12-13H,4,9H2,1-3H3
InChIKeyWDBBURCVPYCRBP-UHFFFAOYSA-N
XLogP1.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine
CID 64646373
2-chloro-1-(4-ethylphenyl)-N-methylethanamine
CID 116952559
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 54932076
1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine
CID 64653780
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767
[1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105197317
4-(4-ethylphenyl)-4-(methylamino)butanoic acid
CID 112517844
1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine
CID 64651139
1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine
CID 107763142
1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 64649870
2-tert-butylsulfonyl-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 64646371
1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine
CID 104804645

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine (CID 62543737) is 1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine is CCc1ccc(C(CS(C)(=O)=O)NC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine?
The InChIKey is WDBBURCVPYCRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-10-5-7-11(8-6-10)12(13-2)9-16(3,14)15/h5-8,12-13H,4,9H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine?
1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine has a molecular weight of 241.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine is sourced from PubChem (CID 62543737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).