2-(3-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine

C12H19BrN2O — CID 106885736

IUPAC2-(3-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCCN1C(CN)c1occc1Br
InChIInChI=1S/C12H19BrN2O/c1-12(2)5-3-6-15(12)10(8-14)11-9(13)4-7-16-11/h4,7,10H,3,5-6,8,14H2,1-2H3
InChIKeyDMWVPEBLOXCNFD-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.92
Rot. Bonds3

About 2-(3-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine

2-(3-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine (PubChem CID 106885736) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
PubChem CID106885736
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name2-(3-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCCN1C(CN)c1occc1Br
InChIInChI=1S/C12H19BrN2O/c1-12(2)5-3-6-15(12)10(8-14)11-9(13)4-7-16-11/h4,7,10H,3,5-6,8,14H2,1-2H3
InChIKeyDMWVPEBLOXCNFD-UHFFFAOYSA-N
XLogP2.92
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azocan-1-yl)-2-(3-bromofuran-2-yl)ethanamine
CID 106885572
2-(5-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63219371
2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63216262
2-(3-bromofuran-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 106885545
2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63215857
2-(2,2-dimethylpyrrolidin-1-yl)-2-(5-ethylfuran-2-yl)ethanamine
CID 55162702
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3-bromofuran-2-yl)ethanamine
CID 106885610
(3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine
CID 115861247
2-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63216072
2-(4-cyclopropylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 79984492
2-(2,2-dimethylpyrrolidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 63216264
2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63216309

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine (CID 106885736) is 2-(3-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine is CC1(C)CCCN1C(CN)c1occc1Br.
What is the InChIKey of 2-(3-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The InChIKey is DMWVPEBLOXCNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-12(2)5-3-6-15(12)10(8-14)11-9(13)4-7-16-11/h4,7,10H,3,5-6,8,14H2,1-2H3.
What are the key properties of 2-(3-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
2-(3-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine has a molecular weight of 287.20 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 106885736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).