2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide

C14H24N2O3S — CID 106335143

IUPAC2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
SMILESCCOc1ccccc1C(C)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C14H24N2O3S/c1-5-19-14-9-7-6-8-13(14)12(2)15-10-11-20(17,18)16(3)4/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyQYFXDVNLTWTHPZ-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.63
Rot. Bonds8

About 2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide

2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide (PubChem CID 106335143) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
PubChem CID106335143
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
SMILESCCOc1ccccc1C(C)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C14H24N2O3S/c1-5-19-14-9-7-6-8-13(14)12(2)15-10-11-20(17,18)16(3)4/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyQYFXDVNLTWTHPZ-UHFFFAOYSA-N
XLogP1.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-ethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097849
3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116569
N-[1-(2-ethoxyphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43194057
N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43203001
4-[1-(2-ethoxyphenyl)ethylamino]butanamide
CID 60864453
5-[1-(2-ethoxyphenyl)ethylamino]pentan-2-ol
CID 107270389
5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol
CID 113350527
3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115704472
(2R)-1-[1-(2-ethoxyphenyl)ethylamino]propan-2-ol
CID 103906642
3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115890665
N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine
CID 54932052
N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43108073

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide (CID 106335143) is 2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide is CCOc1ccccc1C(C)NCCS(=O)(=O)N(C)C.
What is the InChIKey of 2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide?
The InChIKey is QYFXDVNLTWTHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-19-14-9-7-6-8-13(14)12(2)15-10-11-20(17,18)16(3)4/h6-9,12,15H,5,10-11H2,1-4H3.
What are the key properties of 2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide?
2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106335143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).