1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine

C14H23NO3S — CID 103710433

IUPAC1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine
SMILESCCOc1ccc(C(C)NCCS(=O)(=O)CC)cc1
InChIInChI=1S/C14H23NO3S/c1-4-18-14-8-6-13(7-9-14)12(3)15-10-11-19(16,17)5-2/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyKCNYRIMNDZCUEJ-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.17
Rot. Bonds8

About 1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine

1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine (PubChem CID 103710433) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine
PubChem CID103710433
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine
SMILESCCOc1ccc(C(C)NCCS(=O)(=O)CC)cc1
InChIInChI=1S/C14H23NO3S/c1-4-18-14-8-6-13(7-9-14)12(3)15-10-11-19(16,17)5-2/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyKCNYRIMNDZCUEJ-UHFFFAOYSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine
CID 81347805
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid
CID 43088463
(1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 81371404
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 54914008
3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide
CID 60926168
N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597
N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 43734730
(1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine
CID 106724080
N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 22204767
N-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787824
2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide
CID 43215162

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine (CID 103710433) is 1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine is CCOc1ccc(C(C)NCCS(=O)(=O)CC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine?
The InChIKey is KCNYRIMNDZCUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-4-18-14-8-6-13(7-9-14)12(3)15-10-11-19(16,17)5-2/h6-9,12,15H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine?
1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine has a molecular weight of 285.41 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine is sourced from PubChem (CID 103710433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).