2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-propylmorpholin-2-yl)ethanamine

C15H25BrN2OS — CID 79658332

IUPAC2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-propylmorpholin-2-yl)ethanamine
SMILESCCCN1CCOC(C(Cc2cc(Br)cs2)NCC)C1
InChIInChI=1S/C15H25BrN2OS/c1-3-5-18-6-7-19-15(10-18)14(17-4-2)9-13-8-12(16)11-20-13/h8,11,14-15,17H,3-7,9-10H2,1-2H3
InChIKeyUWNTXBSMJGNWSC-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.14
Rot. Bonds7

About 2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-propylmorpholin-2-yl)ethanamine

2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-propylmorpholin-2-yl)ethanamine (PubChem CID 79658332) has the molecular formula C15H25BrN2OS and a molecular weight of 361.35 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-propylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-propylmorpholin-2-yl)ethanamine
PubChem CID79658332
Molecular FormulaC15H25BrN2OS
Molecular Weight361.35 g/mol
Exact Mass360.09
IUPAC Name2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-propylmorpholin-2-yl)ethanamine
SMILESCCCN1CCOC(C(Cc2cc(Br)cs2)NCC)C1
InChIInChI=1S/C15H25BrN2OS/c1-3-5-18-6-7-19-15(10-18)14(17-4-2)9-13-8-12(16)11-20-13/h8,11,14-15,17H,3-7,9-10H2,1-2H3
InChIKeyUWNTXBSMJGNWSC-UHFFFAOYSA-N
XLogP3.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-propylmorpholin-2-yl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-propylmorpholin-2-yl)ethanamine (CID 79658332) is 2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-propylmorpholin-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-propylmorpholin-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-propylmorpholin-2-yl)ethanamine is CCCN1CCOC(C(Cc2cc(Br)cs2)NCC)C1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-propylmorpholin-2-yl)ethanamine?
The InChIKey is UWNTXBSMJGNWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2OS/c1-3-5-18-6-7-19-15(10-18)14(17-4-2)9-13-8-12(16)11-20-13/h8,11,14-15,17H,3-7,9-10H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-propylmorpholin-2-yl)ethanamine?
2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-propylmorpholin-2-yl)ethanamine has a molecular weight of 361.35 g/mol, XLogP of 3.14, 7 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)-N-ethyl-1-(4-propylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 79658332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).