2-(5-bromofuran-2-yl)-N-(furan-3-ylmethyl)ethanamine

C11H12BrNO2 — CID 115732885

IUPAC2-(5-bromofuran-2-yl)-N-(furan-3-ylmethyl)ethanamine
SMILESBrc1ccc(CCNCc2ccoc2)o1
InChIInChI=1S/C11H12BrNO2/c12-11-2-1-10(15-11)3-5-13-7-9-4-6-14-8-9/h1-2,4,6,8,13H,3,5,7H2
InChIKeyYQIKFISFYNWTSG-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.97
Rot. Bonds5

About 2-(5-bromofuran-2-yl)-N-(furan-3-ylmethyl)ethanamine

2-(5-bromofuran-2-yl)-N-(furan-3-ylmethyl)ethanamine (PubChem CID 115732885) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-N-(furan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-N-(furan-3-ylmethyl)ethanamine
PubChem CID115732885
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name2-(5-bromofuran-2-yl)-N-(furan-3-ylmethyl)ethanamine
SMILESBrc1ccc(CCNCc2ccoc2)o1
InChIInChI=1S/C11H12BrNO2/c12-11-2-1-10(15-11)3-5-13-7-9-4-6-14-8-9/h1-2,4,6,8,13H,3,5,7H2
InChIKeyYQIKFISFYNWTSG-UHFFFAOYSA-N
XLogP2.97
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-N-(furan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(5-bromofuran-2-yl)-N-(furan-3-ylmethyl)ethanamine (CID 115732885) is 2-(5-bromofuran-2-yl)-N-(furan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-N-(furan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-N-(furan-3-ylmethyl)ethanamine is Brc1ccc(CCNCc2ccoc2)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-N-(furan-3-ylmethyl)ethanamine?
The InChIKey is YQIKFISFYNWTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-11-2-1-10(15-11)3-5-13-7-9-4-6-14-8-9/h1-2,4,6,8,13H,3,5,7H2.
What are the key properties of 2-(5-bromofuran-2-yl)-N-(furan-3-ylmethyl)ethanamine?
2-(5-bromofuran-2-yl)-N-(furan-3-ylmethyl)ethanamine has a molecular weight of 270.13 g/mol, XLogP of 2.97, 5 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)-N-(furan-3-ylmethyl)ethanamine is sourced from PubChem (CID 115732885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).