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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Related Compounds

2-(3-bromothiophen-2-yl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 115380425
2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171808
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 79941110
2-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridin-3-ylethanamine
CID 63172030
2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
CID 63171639
3-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-1-amine
CID 63171689
2-(3-bromothiophen-2-yl)-2-(1,4-thiazepan-4-yl)ethanamine
CID 115380349
2-(2-bromo-5-chlorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 66155655
2-(3-bromothiophen-2-yl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 115380278
3,3-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine
CID 63171723
2-(4-cyclopropylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 61440431
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine
CID 79174673

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).