1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine

C11H16BrNO3S — CID 61390154

IUPAC1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Br)c1OCCS(C)(=O)=O
InChIInChI=1S/C11H16BrNO3S/c1-13-8-9-4-3-5-10(12)11(9)16-6-7-17(2,14)15/h3-5,13H,6-8H2,1-2H3
InChIKeyHFOFLMODUVXCBV-UHFFFAOYSA-N
MW322.22 g/mol
LogP1.59
Rot. Bonds6

About 1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine

1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine (PubChem CID 61390154) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine
PubChem CID61390154
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Br)c1OCCS(C)(=O)=O
InChIInChI=1S/C11H16BrNO3S/c1-13-8-9-4-3-5-10(12)11(9)16-6-7-17(2,14)15/h3-5,13H,6-8H2,1-2H3
InChIKeyHFOFLMODUVXCBV-UHFFFAOYSA-N
XLogP1.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-bromo-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63059040
1-bromo-3-(bromomethyl)-2-(2-methylsulfonylethoxy)benzene
CID 61392210
[3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine
CID 61389794
5-[2-bromo-6-(methylaminomethyl)phenoxy]pentanenitrile
CID 54966211
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 61389630
1-[3-chloro-2-(3-methylsulfonylpropoxy)phenyl]-N-methylmethanamine
CID 112608503
2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol
CID 61390167
1-(3-bromo-2-prop-2-enoxyphenyl)-N-methylmethanamine
CID 61390299
1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine
CID 61389671
1-[3-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 61390224
1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 61390217
1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol
CID 61390227

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine (CID 61390154) is 1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine is CNCc1cccc(Br)c1OCCS(C)(=O)=O.
What is the InChIKey of 1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine?
The InChIKey is HFOFLMODUVXCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-13-8-9-4-3-5-10(12)11(9)16-6-7-17(2,14)15/h3-5,13H,6-8H2,1-2H3.
What are the key properties of 1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine?
1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine has a molecular weight of 322.22 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 61390154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).