2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine

C14H20F2N2S — CID 106444825

IUPAC2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCNC(Cc1ccc(F)c(F)c1)C1CSCCN1C
InChIInChI=1S/C14H20F2N2S/c1-17-13(14-9-19-6-5-18(14)2)8-10-3-4-11(15)12(16)7-10/h3-4,7,13-14,17H,5-6,8-9H2,1-2H3
InChIKeyOFMALVLRRKFBFU-UHFFFAOYSA-N
MW286.39 g/mol
LogP2.14
Rot. Bonds4

About 2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine

2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine (PubChem CID 106444825) has the molecular formula C14H20F2N2S and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
PubChem CID106444825
Molecular FormulaC14H20F2N2S
Molecular Weight286.39 g/mol
Exact Mass286.13
IUPAC Name2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCNC(Cc1ccc(F)c(F)c1)C1CSCCN1C
InChIInChI=1S/C14H20F2N2S/c1-17-13(14-9-19-6-5-18(14)2)8-10-3-4-11(15)12(16)7-10/h3-4,7,13-14,17H,5-6,8-9H2,1-2H3
InChIKeyOFMALVLRRKFBFU-UHFFFAOYSA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444713
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445174
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444833
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444804
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445245
[2-(2,5-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446251
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-(4-ethylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446480
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595829
2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658598
[1-(4-methylthiomorpholin-3-yl)-2-phenylethyl]hydrazine
CID 106446350

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine (CID 106444825) is 2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine is CNC(Cc1ccc(F)c(F)c1)C1CSCCN1C.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine?
The InChIKey is OFMALVLRRKFBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2S/c1-17-13(14-9-19-6-5-18(14)2)8-10-3-4-11(15)12(16)7-10/h3-4,7,13-14,17H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine?
2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine has a molecular weight of 286.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine is sourced from PubChem (CID 106444825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).