2-[2-(3-bromophenoxy)ethylsulfonyl]ethanamine

C10H14BrNO3S — CID 28918551

IUPAC2-[2-(3-bromophenoxy)ethylsulfonyl]ethanamine
SMILESNCCS(=O)(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C10H14BrNO3S/c11-9-2-1-3-10(8-9)15-5-7-16(13,14)6-4-12/h1-3,8H,4-7,12H2
InChIKeyBAHJYMBYIZFYFR-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.20
Rot. Bonds6

About 2-[2-(3-bromophenoxy)ethylsulfonyl]ethanamine

2-[2-(3-bromophenoxy)ethylsulfonyl]ethanamine (PubChem CID 28918551) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-[2-(3-bromophenoxy)ethylsulfonyl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-bromophenoxy)ethylsulfonyl]ethanamine
PubChem CID28918551
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC Name2-[2-(3-bromophenoxy)ethylsulfonyl]ethanamine
SMILESNCCS(=O)(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C10H14BrNO3S/c11-9-2-1-3-10(8-9)15-5-7-16(13,14)6-4-12/h1-3,8H,4-7,12H2
InChIKeyBAHJYMBYIZFYFR-UHFFFAOYSA-N
XLogP1.20
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-(3-bromophenoxy)nonane-1-sulfonamide
CID 105343891
3-[2-(3-bromophenoxy)ethylsulfonyl]-2-methylaniline
CID 81191691
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfonyl]ethanamine
CID 28918603
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
3-[2-(2-methylsulfonylethylsulfonyl)ethoxy]aniline
CID 63658125
[4-[2-(3-bromophenyl)sulfonylethoxy]phenyl]methanamine
CID 64698467
3-[2-(3-bromophenoxy)ethylsulfonyl]butanoic acid
CID 66114579
N'-[2-(3-bromophenoxy)ethyl]ethane-1,2-diamine;oxalic acid
CID 2923572
3-(3-bromophenoxy)propane-1-thiol
CID 79019350
1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 113099671
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
3-[3-(2-propylsulfonylethoxy)phenyl]prop-2-yn-1-amine
CID 106728270

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenoxy)ethylsulfonyl]ethanamine?
The IUPAC name of 2-[2-(3-bromophenoxy)ethylsulfonyl]ethanamine (CID 28918551) is 2-[2-(3-bromophenoxy)ethylsulfonyl]ethanamine.
What is the SMILES notation for 2-[2-(3-bromophenoxy)ethylsulfonyl]ethanamine?
The canonical SMILES for 2-[2-(3-bromophenoxy)ethylsulfonyl]ethanamine is NCCS(=O)(=O)CCOc1cccc(Br)c1.
What is the InChIKey of 2-[2-(3-bromophenoxy)ethylsulfonyl]ethanamine?
The InChIKey is BAHJYMBYIZFYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c11-9-2-1-3-10(8-9)15-5-7-16(13,14)6-4-12/h1-3,8H,4-7,12H2.
What are the key properties of 2-[2-(3-bromophenoxy)ethylsulfonyl]ethanamine?
2-[2-(3-bromophenoxy)ethylsulfonyl]ethanamine has a molecular weight of 308.20 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenoxy)ethylsulfonyl]ethanamine is sourced from PubChem (CID 28918551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).