2-(5-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine

C12H19BrN2O — CID 63219371

IUPAC2-(5-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCCN1C(CN)c1ccc(Br)o1
InChIInChI=1S/C12H19BrN2O/c1-12(2)6-3-7-15(12)9(8-14)10-4-5-11(13)16-10/h4-5,9H,3,6-8,14H2,1-2H3
InChIKeyJDOZNFJBEKVVDK-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.92
Rot. Bonds3

About 2-(5-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine

2-(5-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine (PubChem CID 63219371) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
PubChem CID63219371
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name2-(5-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCCN1C(CN)c1ccc(Br)o1
InChIInChI=1S/C12H19BrN2O/c1-12(2)6-3-7-15(12)9(8-14)10-4-5-11(13)16-10/h4-5,9H,3,6-8,14H2,1-2H3
InChIKeyJDOZNFJBEKVVDK-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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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(5-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine (CID 63219371) is 2-(5-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine is CC1(C)CCCN1C(CN)c1ccc(Br)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The InChIKey is JDOZNFJBEKVVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-12(2)6-3-7-15(12)9(8-14)10-4-5-11(13)16-10/h4-5,9H,3,6-8,14H2,1-2H3.
What are the key properties of 2-(5-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
2-(5-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-(5-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 63219371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).