2-(2-chloro-6-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine

C13H18ClFN2S — CID 106444534

IUPAC2-(2-chloro-6-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCN1CCSCC1C(N)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H18ClFN2S/c1-17-5-6-18-8-13(17)12(16)7-9-10(14)3-2-4-11(9)15/h2-4,12-13H,5-8,16H2,1H3
InChIKeyYYORGHWLJNRMGJ-UHFFFAOYSA-N
MW288.82 g/mol
LogP2.40
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine

2-(2-chloro-6-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine (PubChem CID 106444534) has the molecular formula C13H18ClFN2S and a molecular weight of 288.82 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine
PubChem CID106444534
Molecular FormulaC13H18ClFN2S
Molecular Weight288.82 g/mol
Exact Mass288.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCN1CCSCC1C(N)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H18ClFN2S/c1-17-5-6-18-8-13(17)12(16)7-9-10(14)3-2-4-11(9)15/h2-4,12-13H,5-8,16H2,1H3
InChIKeyYYORGHWLJNRMGJ-UHFFFAOYSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 107309197
N-[2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445518
1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 106444508
2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
CID 61078474
2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine
CID 107001824
2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 79963503
2-(2-chloro-6-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 79664378
1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 63528053
1-(2-chloro-6-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79060740
[2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446395
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444713
2-cyclopropyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 103595894

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine (CID 106444534) is 2-(2-chloro-6-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine is CN1CCSCC1C(N)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine?
The InChIKey is YYORGHWLJNRMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2S/c1-17-5-6-18-8-13(17)12(16)7-9-10(14)3-2-4-11(9)15/h2-4,12-13H,5-8,16H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine?
2-(2-chloro-6-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine has a molecular weight of 288.82 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine is sourced from PubChem (CID 106444534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).