2-(5-bromothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine

C12H19BrN2OS — CID 43562446

IUPAC2-(5-bromothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine
SMILESCCC1CN(C(CN)c2ccc(Br)s2)CCO1
InChIInChI=1S/C12H19BrN2OS/c1-2-9-8-15(5-6-16-9)10(7-14)11-3-4-12(13)17-11/h3-4,9-10H,2,5-8,14H2,1H3
InChIKeyNGIJXEDWDAXWBQ-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.62
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine

2-(5-bromothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine (PubChem CID 43562446) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine
PubChem CID43562446
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC Name2-(5-bromothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine
SMILESCCC1CN(C(CN)c2ccc(Br)s2)CCO1
InChIInChI=1S/C12H19BrN2OS/c1-2-9-8-15(5-6-16-9)10(7-14)11-3-4-12(13)17-11/h3-4,9-10H,2,5-8,14H2,1H3
InChIKeyNGIJXEDWDAXWBQ-UHFFFAOYSA-N
XLogP2.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylmorpholin-4-yl)-2-(5-methylthiophen-2-yl)ethanamine
CID 43562504
2-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562503
2-(2-bromophenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562548
2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 54983881
2-(5-bromothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 63603804
2-(2-ethylmorpholin-4-yl)-2-(4-fluorophenyl)ethanamine
CID 43562409
2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103530959
2-(5-ethylthiophen-2-yl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 62345916
2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine
CID 54985530
2-(4-cyclopropylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 79983878
2-(2-ethylmorpholin-4-yl)-2-(3-methylphenyl)ethanamine
CID 43562475
2-(5-bromofuran-2-yl)-2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine
CID 114218323

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine (CID 43562446) is 2-(5-bromothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine is CCC1CN(C(CN)c2ccc(Br)s2)CCO1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine?
The InChIKey is NGIJXEDWDAXWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-2-9-8-15(5-6-16-9)10(7-14)11-3-4-12(13)17-11/h3-4,9-10H,2,5-8,14H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine?
2-(5-bromothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine has a molecular weight of 319.27 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 43562446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).