2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine

C13H18Cl2N2S — CID 107309197

IUPAC2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCN1CCSCC1C(N)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2N2S/c1-17-5-6-18-8-12(17)11(16)7-9-3-2-4-10(14)13(9)15/h2-4,11-12H,5-8,16H2,1H3
InChIKeyCUPPNZIRGFANRR-UHFFFAOYSA-N
MW305.27 g/mol
LogP2.91
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine

2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine (PubChem CID 107309197) has the molecular formula C13H18Cl2N2S and a molecular weight of 305.27 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine
PubChem CID107309197
Molecular FormulaC13H18Cl2N2S
Molecular Weight305.27 g/mol
Exact Mass304.06
IUPAC Name2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCN1CCSCC1C(N)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2N2S/c1-17-5-6-18-8-12(17)11(16)7-9-3-2-4-10(14)13(9)15/h2-4,11-12H,5-8,16H2,1H3
InChIKeyCUPPNZIRGFANRR-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444534
1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 106444508
1-cyclopropyl-2-(2,3-dichlorophenyl)ethanamine
CID 107308371
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444601
(3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanamine
CID 107360379
(1R)-1-(4-methylthiomorpholin-3-yl)butan-1-amine
CID 106446169
2-cyclopropyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 103595894
2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595632
1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-amine
CID 106444474
(4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine
CID 106444468
2-(2,3-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanamine
CID 107308854
[2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446395

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine (CID 107309197) is 2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine is CN1CCSCC1C(N)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine?
The InChIKey is CUPPNZIRGFANRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2S/c1-17-5-6-18-8-12(17)11(16)7-9-3-2-4-10(14)13(9)15/h2-4,11-12H,5-8,16H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine?
2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine has a molecular weight of 305.27 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine is sourced from PubChem (CID 107309197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).