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

C14H20BrFN2S — CID 106444804

IUPAC2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1Br)C1CSCCN1C
InChIInChI=1S/C14H20BrFN2S/c1-17-13(14-9-19-6-5-18(14)2)7-10-3-4-11(16)8-12(10)15/h3-4,8,13-14,17H,5-7,9H2,1-2H3
InChIKeyRAWFTMSYVWRLOQ-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.77
Rot. Bonds4

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

2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine (PubChem CID 106444804) has the molecular formula C14H20BrFN2S and a molecular weight of 347.30 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
PubChem CID106444804
Molecular FormulaC14H20BrFN2S
Molecular Weight347.30 g/mol
Exact Mass346.05
IUPAC Name2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1Br)C1CSCCN1C
InChIInChI=1S/C14H20BrFN2S/c1-17-13(14-9-19-6-5-18(14)2)7-10-3-4-11(16)8-12(10)15/h3-4,8,13-14,17H,5-7,9H2,1-2H3
InChIKeyRAWFTMSYVWRLOQ-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444833
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444713
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-(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-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446395
[2-(2-bromo-4-fluorophenyl)-1-(thiolan-3-yl)ethyl]hydrazine
CID 105296758
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424573
1-(2-bromo-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105136332
2-(5-bromo-2-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595830
[2-(3-bromothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446358

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine (CID 106444804) is 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine is CNC(Cc1ccc(F)cc1Br)C1CSCCN1C.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine?
The InChIKey is RAWFTMSYVWRLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2S/c1-17-13(14-9-19-6-5-18(14)2)7-10-3-4-11(16)8-12(10)15/h3-4,8,13-14,17H,5-7,9H2,1-2H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine?
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine has a molecular weight of 347.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine is sourced from PubChem (CID 106444804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).