N-[[3-(3-bromothiophen-2-yl)-4-methylmorpholin-2-yl]methyl]ethanamine

C12H19BrN2OS — CID 115381375

IUPACN-[[3-(3-bromothiophen-2-yl)-4-methylmorpholin-2-yl]methyl]ethanamine
SMILESCCNCC1OCCN(C)C1c1sccc1Br
InChIInChI=1S/C12H19BrN2OS/c1-3-14-8-10-11(15(2)5-6-16-10)12-9(13)4-7-17-12/h4,7,10-11,14H,3,5-6,8H2,1-2H3
InChIKeyYISGGCHCGSKZSE-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.49
Rot. Bonds4

About N-[[3-(3-bromothiophen-2-yl)-4-methylmorpholin-2-yl]methyl]ethanamine

N-[[3-(3-bromothiophen-2-yl)-4-methylmorpholin-2-yl]methyl]ethanamine (PubChem CID 115381375) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is N-[[3-(3-bromothiophen-2-yl)-4-methylmorpholin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3-bromothiophen-2-yl)-4-methylmorpholin-2-yl]methyl]ethanamine
PubChem CID115381375
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC NameN-[[3-(3-bromothiophen-2-yl)-4-methylmorpholin-2-yl]methyl]ethanamine
SMILESCCNCC1OCCN(C)C1c1sccc1Br
InChIInChI=1S/C12H19BrN2OS/c1-3-14-8-10-11(15(2)5-6-16-10)12-9(13)4-7-17-12/h4,7,10-11,14H,3,5-6,8H2,1-2H3
InChIKeyYISGGCHCGSKZSE-UHFFFAOYSA-N
XLogP2.49
TPSA24.50 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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-bromothiophen-2-yl)-4-methylmorpholin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(3-bromothiophen-2-yl)-4-methylmorpholin-2-yl]methyl]ethanamine (CID 115381375) is N-[[3-(3-bromothiophen-2-yl)-4-methylmorpholin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3-bromothiophen-2-yl)-4-methylmorpholin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3-bromothiophen-2-yl)-4-methylmorpholin-2-yl]methyl]ethanamine is CCNCC1OCCN(C)C1c1sccc1Br.
What is the InChIKey of N-[[3-(3-bromothiophen-2-yl)-4-methylmorpholin-2-yl]methyl]ethanamine?
The InChIKey is YISGGCHCGSKZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-3-14-8-10-11(15(2)5-6-16-10)12-9(13)4-7-17-12/h4,7,10-11,14H,3,5-6,8H2,1-2H3.
What are the key properties of N-[[3-(3-bromothiophen-2-yl)-4-methylmorpholin-2-yl]methyl]ethanamine?
N-[[3-(3-bromothiophen-2-yl)-4-methylmorpholin-2-yl]methyl]ethanamine has a molecular weight of 319.27 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-bromothiophen-2-yl)-4-methylmorpholin-2-yl]methyl]ethanamine is sourced from PubChem (CID 115381375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).