2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine

C12H18Br2N2OS — CID 102840044

IUPAC2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
SMILESC[C@@H]1CN(C(CN)c2cc(Br)c(Br)s2)C[C@H](C)O1
InChIInChI=1S/C12H18Br2N2OS/c1-7-5-16(6-8(2)17-7)10(4-15)11-3-9(13)12(14)18-11/h3,7-8,10H,4-6,15H2,1-2H3/t7-,8+,10?
InChIKeyZFKPNKALVBEWQI-JWHQNHQBSA-N
MW398.16 g/mol
LogP3.38
Rot. Bonds3

About 2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine

2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine (PubChem CID 102840044) has the molecular formula C12H18Br2N2OS and a molecular weight of 398.16 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
PubChem CID102840044
Molecular FormulaC12H18Br2N2OS
Molecular Weight398.16 g/mol
Exact Mass395.95
IUPAC Name2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
SMILESC[C@@H]1CN(C(CN)c2cc(Br)c(Br)s2)C[C@H](C)O1
InChIInChI=1S/C12H18Br2N2OS/c1-7-5-16(6-8(2)17-7)10(4-15)11-3-9(13)12(14)18-11/h3,7-8,10H,4-6,15H2,1-2H3/t7-,8+,10?
InChIKeyZFKPNKALVBEWQI-JWHQNHQBSA-N
XLogP3.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.16
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine with MolForge

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Related Compounds

2-(4,5-dibromothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 102839249
2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine
CID 102838136
2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 102838938
2-(4-butan-2-ylpiperazin-1-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine
CID 102839099
(2S)-2-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 30072752
(2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 124552555
2-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531970
2-(3,5-difluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine
CID 106528465
2-(3,5-difluorophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 106528795
2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 102838082
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methylpyrimidin-5-yl)ethanamine
CID 118497616
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 102838072

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine (CID 102840044) is 2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine is C[C@@H]1CN(C(CN)c2cc(Br)c(Br)s2)C[C@H](C)O1.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine?
The InChIKey is ZFKPNKALVBEWQI-JWHQNHQBSA-N. The full InChI is InChI=1S/C12H18Br2N2OS/c1-7-5-16(6-8(2)17-7)10(4-15)11-3-9(13)12(14)18-11/h3,7-8,10H,4-6,15H2,1-2H3/t7-,8+,10?.
What are the key properties of 2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine?
2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine has a molecular weight of 398.16 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine is sourced from PubChem (CID 102840044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).