1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine

C13H21NOS — CID 115720633

IUPAC1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
SMILESCCc1ccc(C(C)NCCS(C)=O)cc1
InChIInChI=1S/C13H21NOS/c1-4-12-5-7-13(8-6-12)11(2)14-9-10-16(3)15/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyUKNBYIZDUSYTKF-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.28
Rot. Bonds6

About 1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine

1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine (PubChem CID 115720633) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
PubChem CID115720633
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
SMILESCCc1ccc(C(C)NCCS(C)=O)cc1
InChIInChI=1S/C13H21NOS/c1-4-12-5-7-13(8-6-12)11(2)14-9-10-16(3)15/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyUKNBYIZDUSYTKF-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 115720610
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide
CID 115898464
N-(2-methylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 113261699
N-[1-(4-ethylphenyl)ethyl]pentan-1-amine
CID 43080427
N-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine
CID 115718883
N-[2-[1-(4-ethylphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43203024
N-[1-[4-(4-ethylphenoxy)phenyl]ethyl]propan-1-amine
CID 43285379
N-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine
CID 61239798
1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115879329
N-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine
CID 115718978
N-[1-(4-ethylphenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 115666749

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine (CID 115720633) is 1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine is CCc1ccc(C(C)NCCS(C)=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine?
The InChIKey is UKNBYIZDUSYTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-4-12-5-7-13(8-6-12)11(2)14-9-10-16(3)15/h5-8,11,14H,4,9-10H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine?
1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine has a molecular weight of 239.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine is sourced from PubChem (CID 115720633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).