2-ethoxy-3-(3-methylsulfonylphenoxy)propan-1-amine

C12H19NO4S — CID 63070637

IUPAC2-ethoxy-3-(3-methylsulfonylphenoxy)propan-1-amine
SMILESCCOC(CN)COc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C12H19NO4S/c1-3-16-11(8-13)9-17-10-5-4-6-12(7-10)18(2,14)15/h4-7,11H,3,8-9,13H2,1-2H3
InChIKeyWBGVPLQVLCEPEJ-UHFFFAOYSA-N
MW273.35 g/mol
LogP0.83
Rot. Bonds7

About 2-ethoxy-3-(3-methylsulfonylphenoxy)propan-1-amine

2-ethoxy-3-(3-methylsulfonylphenoxy)propan-1-amine (PubChem CID 63070637) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-ethoxy-3-(3-methylsulfonylphenoxy)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(3-methylsulfonylphenoxy)propan-1-amine
PubChem CID63070637
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name2-ethoxy-3-(3-methylsulfonylphenoxy)propan-1-amine
SMILESCCOC(CN)COc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C12H19NO4S/c1-3-16-11(8-13)9-17-10-5-4-6-12(7-10)18(2,14)15/h4-7,11H,3,8-9,13H2,1-2H3
InChIKeyWBGVPLQVLCEPEJ-UHFFFAOYSA-N
XLogP0.83
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(3-methylsulfonylphenoxy)propan-1-amine?
The IUPAC name of 2-ethoxy-3-(3-methylsulfonylphenoxy)propan-1-amine (CID 63070637) is 2-ethoxy-3-(3-methylsulfonylphenoxy)propan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(3-methylsulfonylphenoxy)propan-1-amine?
The canonical SMILES for 2-ethoxy-3-(3-methylsulfonylphenoxy)propan-1-amine is CCOC(CN)COc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 2-ethoxy-3-(3-methylsulfonylphenoxy)propan-1-amine?
The InChIKey is WBGVPLQVLCEPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-3-16-11(8-13)9-17-10-5-4-6-12(7-10)18(2,14)15/h4-7,11H,3,8-9,13H2,1-2H3.
What are the key properties of 2-ethoxy-3-(3-methylsulfonylphenoxy)propan-1-amine?
2-ethoxy-3-(3-methylsulfonylphenoxy)propan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(3-methylsulfonylphenoxy)propan-1-amine is sourced from PubChem (CID 63070637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).