2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine

C14H20ClFN2S — CID 106444833

IUPAC2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCNC(Cc1cc(F)ccc1Cl)C1CSCCN1C
InChIInChI=1S/C14H20ClFN2S/c1-17-13(14-9-19-6-5-18(14)2)8-10-7-11(16)3-4-12(10)15/h3-4,7,13-14,17H,5-6,8-9H2,1-2H3
InChIKeyGBRHZYUOTSFXAE-UHFFFAOYSA-N
MW302.85 g/mol
LogP2.66
Rot. Bonds4

About 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine

2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine (PubChem CID 106444833) has the molecular formula C14H20ClFN2S and a molecular weight of 302.85 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
PubChem CID106444833
Molecular FormulaC14H20ClFN2S
Molecular Weight302.85 g/mol
Exact Mass302.10
IUPAC Name2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCNC(Cc1cc(F)ccc1Cl)C1CSCCN1C
InChIInChI=1S/C14H20ClFN2S/c1-17-13(14-9-19-6-5-18(14)2)8-10-7-11(16)3-4-12(10)15/h3-4,7,13-14,17H,5-6,8-9H2,1-2H3
InChIKeyGBRHZYUOTSFXAE-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446395
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444804
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444713
[2-(2,5-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446251
2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444825
N-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445370
2-(4-bromothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444806
2-(3,4-dichlorophenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445261
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445174
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 102622604
[2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 102623389
[2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446450

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine (CID 106444833) is 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine is CNC(Cc1cc(F)ccc1Cl)C1CSCCN1C.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine?
The InChIKey is GBRHZYUOTSFXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2S/c1-17-13(14-9-19-6-5-18(14)2)8-10-7-11(16)3-4-12(10)15/h3-4,7,13-14,17H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine?
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine has a molecular weight of 302.85 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine is sourced from PubChem (CID 106444833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).