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

C11H17BrN2OS — CID 43541933

IUPAC2-(4-bromothiophen-2-yl)-2-(3-methylmorpholin-4-yl)ethanamine
SMILESCC1COCCN1C(CN)c1cc(Br)cs1
InChIInChI=1S/C11H17BrN2OS/c1-8-6-15-3-2-14(8)10(5-13)11-4-9(12)7-16-11/h4,7-8,10H,2-3,5-6,13H2,1H3
InChIKeyVWLRMBOSUKRZAQ-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.23
Rot. Bonds3

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

2-(4-bromothiophen-2-yl)-2-(3-methylmorpholin-4-yl)ethanamine (PubChem CID 43541933) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-(3-methylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-(3-methylmorpholin-4-yl)ethanamine
PubChem CID43541933
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name2-(4-bromothiophen-2-yl)-2-(3-methylmorpholin-4-yl)ethanamine
SMILESCC1COCCN1C(CN)c1cc(Br)cs1
InChIInChI=1S/C11H17BrN2OS/c1-8-6-15-3-2-14(8)10(5-13)11-4-9(12)7-16-11/h4,7-8,10H,2-3,5-6,13H2,1H3
InChIKeyVWLRMBOSUKRZAQ-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 43123628
2-(4-bromothiophen-2-yl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 114086348
2-(2-chlorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine
CID 43541974
2-(4-bromothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 43123632
2-(2-fluorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine
CID 43541859
(2R)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine
CID 124710087
2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 43123646
2-(2,5-dimethoxyphenyl)-2-(3-methylmorpholin-4-yl)ethanamine
CID 43541870
2-(3-methylmorpholin-4-yl)-2-pyrimidin-4-ylethanamine
CID 63986052
2-(3-methylmorpholin-4-yl)pentan-1-amine
CID 43541861
2-(4-bromothiophen-2-yl)-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79326165
2-(4-bromothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79175202

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-(3-methylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-(3-methylmorpholin-4-yl)ethanamine (CID 43541933) is 2-(4-bromothiophen-2-yl)-2-(3-methylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-(3-methylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-(3-methylmorpholin-4-yl)ethanamine is CC1COCCN1C(CN)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-(3-methylmorpholin-4-yl)ethanamine?
The InChIKey is VWLRMBOSUKRZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-8-6-15-3-2-14(8)10(5-13)11-4-9(12)7-16-11/h4,7-8,10H,2-3,5-6,13H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-(3-methylmorpholin-4-yl)ethanamine?
2-(4-bromothiophen-2-yl)-2-(3-methylmorpholin-4-yl)ethanamine has a molecular weight of 305.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-(3-methylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 43541933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).