2-(3-bromothiophen-2-yl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine

C14H22BrN3OS — CID 115380442

IUPAC2-(3-bromothiophen-2-yl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
SMILESNCC(c1sccc1Br)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H22BrN3OS/c15-12-2-8-20-14(12)13(9-16)18-3-1-11(10-18)17-4-6-19-7-5-17/h2,8,11,13H,1,3-7,9-10,16H2
InChIKeyAHQIBWAWQKADSU-UHFFFAOYSA-N
MW360.32 g/mol
LogP1.92
Rot. Bonds4

About 2-(3-bromothiophen-2-yl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine

2-(3-bromothiophen-2-yl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine (PubChem CID 115380442) has the molecular formula C14H22BrN3OS and a molecular weight of 360.32 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
PubChem CID115380442
Molecular FormulaC14H22BrN3OS
Molecular Weight360.32 g/mol
Exact Mass359.07
IUPAC Name2-(3-bromothiophen-2-yl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
SMILESNCC(c1sccc1Br)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H22BrN3OS/c15-12-2-8-20-14(12)13(9-16)18-3-1-11(10-18)17-4-6-19-7-5-17/h2,8,11,13H,1,3-7,9-10,16H2
InChIKeyAHQIBWAWQKADSU-UHFFFAOYSA-N
XLogP1.92
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine (CID 115380442) is 2-(3-bromothiophen-2-yl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine is NCC(c1sccc1Br)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine?
The InChIKey is AHQIBWAWQKADSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3OS/c15-12-2-8-20-14(12)13(9-16)18-3-1-11(10-18)17-4-6-19-7-5-17/h2,8,11,13H,1,3-7,9-10,16H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine?
2-(3-bromothiophen-2-yl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine has a molecular weight of 360.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 115380442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).