1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine

C13H21NO3S — CID 54930795

IUPAC1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine
SMILESCCS(=O)(=O)CCOc1ccc(CC(C)N)cc1
InChIInChI=1S/C13H21NO3S/c1-3-18(15,16)9-8-17-13-6-4-12(5-7-13)10-11(2)14/h4-7,11H,3,8-10,14H2,1-2H3
InChIKeyOCYKHIIMYCUSEM-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.39
Rot. Bonds7

About 1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine

1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine (PubChem CID 54930795) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine
PubChem CID54930795
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine
SMILESCCS(=O)(=O)CCOc1ccc(CC(C)N)cc1
InChIInChI=1S/C13H21NO3S/c1-3-18(15,16)9-8-17-13-6-4-12(5-7-13)10-11(2)14/h4-7,11H,3,8-10,14H2,1-2H3
InChIKeyOCYKHIIMYCUSEM-UHFFFAOYSA-N
XLogP1.39
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propoxyphenyl)propan-2-amine;hydrochloride
CID 3027264
1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine
CID 106728342
1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine
CID 115495201
1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene
CID 64764761
1-[4-(2-bromoethoxy)phenyl]propan-2-amine
CID 170864441
(2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine
CID 57215719
[4-(3-ethylsulfonylpropoxy)phenyl]methanamine
CID 64697792
1-[4-(2-butoxyethoxy)phenyl]propan-2-amine
CID 54956350
1-[4-(3-ethylsulfonylpropoxy)phenyl]-N-methylpropan-2-amine
CID 115494825
N-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106722425
1-[2-(4-bromophenoxy)ethylsulfonyl]propan-2-amine
CID 81189902
4-[2-(4-bromophenoxy)ethylsulfonyl]butan-2-amine
CID 81193839

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine (CID 54930795) is 1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine is CCS(=O)(=O)CCOc1ccc(CC(C)N)cc1.
What is the InChIKey of 1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine?
The InChIKey is OCYKHIIMYCUSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-3-18(15,16)9-8-17-13-6-4-12(5-7-13)10-11(2)14/h4-7,11H,3,8-10,14H2,1-2H3.
What are the key properties of 1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine?
1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine has a molecular weight of 271.38 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 54930795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).