2-(azocan-1-yl)-2-(3-bromofuran-2-yl)ethanamine

C13H21BrN2O — CID 106885572

IUPAC2-(azocan-1-yl)-2-(3-bromofuran-2-yl)ethanamine
SMILESNCC(c1occc1Br)N1CCCCCCC1
InChIInChI=1S/C13H21BrN2O/c14-11-6-9-17-13(11)12(10-15)16-7-4-2-1-3-5-8-16/h6,9,12H,1-5,7-8,10,15H2
InChIKeyFIAZDWPCZDUJNC-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.31
Rot. Bonds3

About 2-(azocan-1-yl)-2-(3-bromofuran-2-yl)ethanamine

2-(azocan-1-yl)-2-(3-bromofuran-2-yl)ethanamine (PubChem CID 106885572) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 2-(azocan-1-yl)-2-(3-bromofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(azocan-1-yl)-2-(3-bromofuran-2-yl)ethanamine
PubChem CID106885572
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name2-(azocan-1-yl)-2-(3-bromofuran-2-yl)ethanamine
SMILESNCC(c1occc1Br)N1CCCCCCC1
InChIInChI=1S/C13H21BrN2O/c14-11-6-9-17-13(11)12(10-15)16-7-4-2-1-3-5-8-16/h6,9,12H,1-5,7-8,10,15H2
InChIKeyFIAZDWPCZDUJNC-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-2-(3-bromofuran-2-yl)ethanamine?
The IUPAC name of 2-(azocan-1-yl)-2-(3-bromofuran-2-yl)ethanamine (CID 106885572) is 2-(azocan-1-yl)-2-(3-bromofuran-2-yl)ethanamine.
What is the SMILES notation for 2-(azocan-1-yl)-2-(3-bromofuran-2-yl)ethanamine?
The canonical SMILES for 2-(azocan-1-yl)-2-(3-bromofuran-2-yl)ethanamine is NCC(c1occc1Br)N1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-2-(3-bromofuran-2-yl)ethanamine?
The InChIKey is FIAZDWPCZDUJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c14-11-6-9-17-13(11)12(10-15)16-7-4-2-1-3-5-8-16/h6,9,12H,1-5,7-8,10,15H2.
What are the key properties of 2-(azocan-1-yl)-2-(3-bromofuran-2-yl)ethanamine?
2-(azocan-1-yl)-2-(3-bromofuran-2-yl)ethanamine has a molecular weight of 301.23 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-2-(3-bromofuran-2-yl)ethanamine is sourced from PubChem (CID 106885572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).