N-[[2-chloro-6-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine

C12H18ClNO3S — CID 114318919

IUPACN-[[2-chloro-6-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1OCCS(C)(=O)=O
InChIInChI=1S/C12H18ClNO3S/c1-3-14-9-10-11(13)5-4-6-12(10)17-7-8-18(2,15)16/h4-6,14H,3,7-9H2,1-2H3
InChIKeySUHSLXXPOXUIIS-UHFFFAOYSA-N
MW291.80 g/mol
LogP1.87
Rot. Bonds7

About N-[[2-chloro-6-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine

N-[[2-chloro-6-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine (PubChem CID 114318919) has the molecular formula C12H18ClNO3S and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[[2-chloro-6-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
PubChem CID114318919
Molecular FormulaC12H18ClNO3S
Molecular Weight291.80 g/mol
Exact Mass291.07
IUPAC NameN-[[2-chloro-6-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1OCCS(C)(=O)=O
InChIInChI=1S/C12H18ClNO3S/c1-3-14-9-10-11(13)5-4-6-12(10)17-7-8-18(2,15)16/h4-6,14H,3,7-9H2,1-2H3
InChIKeySUHSLXXPOXUIIS-UHFFFAOYSA-N
XLogP1.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-chloro-6-(3-methylsulfonylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114319785
2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 114318958
3-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 114318944
N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
CID 54936992
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997
N-[[2-chloro-6-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 114319127
1-chloro-2-(chloromethyl)-3-(3-methylsulfonylpropoxy)benzene
CID 114320711
N-[[2-chloro-6-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 114319064
N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
CID 43282972
2-(bromomethyl)-1-chloro-3-(3-methylsulfonylpropoxy)benzene
CID 114320876
N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 114319059
N-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine
CID 114318984

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-6-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine (CID 114318919) is N-[[2-chloro-6-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-6-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-6-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine is CCNCc1c(Cl)cccc1OCCS(C)(=O)=O.
What is the InChIKey of N-[[2-chloro-6-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine?
The InChIKey is SUHSLXXPOXUIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S/c1-3-14-9-10-11(13)5-4-6-12(10)17-7-8-18(2,15)16/h4-6,14H,3,7-9H2,1-2H3.
What are the key properties of N-[[2-chloro-6-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine?
N-[[2-chloro-6-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine has a molecular weight of 291.80 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 114318919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).