2-(5-bromofuran-2-yl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine

C13H21BrN2O — CID 62330319

IUPAC2-(5-bromofuran-2-yl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CCN(C(CN)c2ccc(Br)o2)C(C)C1
InChIInChI=1S/C13H21BrN2O/c1-9-5-6-16(10(2)7-9)11(8-15)12-3-4-13(14)17-12/h3-4,9-11H,5-8,15H2,1-2H3
InChIKeyZFDATDIBNBOTTN-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.16
Rot. Bonds3

About 2-(5-bromofuran-2-yl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine

2-(5-bromofuran-2-yl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine (PubChem CID 62330319) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine
PubChem CID62330319
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name2-(5-bromofuran-2-yl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CCN(C(CN)c2ccc(Br)o2)C(C)C1
InChIInChI=1S/C13H21BrN2O/c1-9-5-6-16(10(2)7-9)11(8-15)12-3-4-13(14)17-12/h3-4,9-11H,5-8,15H2,1-2H3
InChIKeyZFDATDIBNBOTTN-UHFFFAOYSA-N
XLogP3.16
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.16
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-(2,4-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(5-bromofuran-2-yl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine (CID 62330319) is 2-(5-bromofuran-2-yl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine is CC1CCN(C(CN)c2ccc(Br)o2)C(C)C1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is ZFDATDIBNBOTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-9-5-6-16(10(2)7-9)11(8-15)12-3-4-13(14)17-12/h3-4,9-11H,5-8,15H2,1-2H3.
What are the key properties of 2-(5-bromofuran-2-yl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine?
2-(5-bromofuran-2-yl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine has a molecular weight of 301.23 g/mol, XLogP of 3.16, 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-(2,4-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 62330319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).