2-(3-bromothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine

C11H17BrN2OS — CID 79093041

IUPAC2-(3-bromothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine
SMILESCN1CCOC(C(N)Cc2sccc2Br)C1
InChIInChI=1S/C11H17BrN2OS/c1-14-3-4-15-10(7-14)9(13)6-11-8(12)2-5-16-11/h2,5,9-10H,3-4,6-7,13H2,1H3
InChIKeyYGKRVZKOICLDFK-UHFFFAOYSA-N
MW305.24 g/mol
LogP1.71
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine

2-(3-bromothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine (PubChem CID 79093041) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine
PubChem CID79093041
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name2-(3-bromothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine
SMILESCN1CCOC(C(N)Cc2sccc2Br)C1
InChIInChI=1S/C11H17BrN2OS/c1-14-3-4-15-10(7-14)9(13)6-11-8(12)2-5-16-11/h2,5,9-10H,3-4,6-7,13H2,1H3
InChIKeyYGKRVZKOICLDFK-UHFFFAOYSA-N
XLogP1.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylmorpholin-2-yl)-2-(2-methylphenyl)ethanamine
CID 79093432
2-(furan-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 83183147
2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79092573
1-(4-methylmorpholin-2-yl)-2-naphthalen-1-ylethanamine
CID 79093323
2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 82922361
[2-(3-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247367
(4-methylmorpholin-2-yl)-(2-methylthiophen-3-yl)methanol
CID 102831436
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093134
[1-(4-methylmorpholin-2-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105244528
[1-(4-methylmorpholin-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105244511
1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79082017
[(4-bromothiophen-3-yl)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244304

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine (CID 79093041) is 2-(3-bromothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine is CN1CCOC(C(N)Cc2sccc2Br)C1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine?
The InChIKey is YGKRVZKOICLDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-14-3-4-15-10(7-14)9(13)6-11-8(12)2-5-16-11/h2,5,9-10H,3-4,6-7,13H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine?
2-(3-bromothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine has a molecular weight of 305.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 79093041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).