2-(5-bromofuran-2-yl)-2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine

C13H21BrN2O2 — CID 114218323

IUPAC2-(5-bromofuran-2-yl)-2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine
SMILESCCC1CN(C(CN)c2ccc(Br)o2)CCCO1
InChIInChI=1S/C13H21BrN2O2/c1-2-10-9-16(6-3-7-17-10)11(8-15)12-4-5-13(14)18-12/h4-5,10-11H,2-3,6-9,15H2,1H3
InChIKeyVWZRPOIIPCDEDO-UHFFFAOYSA-N
MW317.23 g/mol
LogP2.54
Rot. Bonds4

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

2-(5-bromofuran-2-yl)-2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine (PubChem CID 114218323) has the molecular formula C13H21BrN2O2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine
PubChem CID114218323
Molecular FormulaC13H21BrN2O2
Molecular Weight317.23 g/mol
Exact Mass316.08
IUPAC Name2-(5-bromofuran-2-yl)-2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine
SMILESCCC1CN(C(CN)c2ccc(Br)o2)CCCO1
InChIInChI=1S/C13H21BrN2O2/c1-2-10-9-16(6-3-7-17-10)11(8-15)12-4-5-13(14)18-12/h4-5,10-11H,2-3,6-9,15H2,1H3
InChIKeyVWZRPOIIPCDEDO-UHFFFAOYSA-N
XLogP2.54
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromofuran-2-yl)-2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine?
The IUPAC name of 2-(5-bromofuran-2-yl)-2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine (CID 114218323) is 2-(5-bromofuran-2-yl)-2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine is CCC1CN(C(CN)c2ccc(Br)o2)CCCO1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine?
The InChIKey is VWZRPOIIPCDEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2/c1-2-10-9-16(6-3-7-17-10)11(8-15)12-4-5-13(14)18-12/h4-5,10-11H,2-3,6-9,15H2,1H3.
What are the key properties of 2-(5-bromofuran-2-yl)-2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine?
2-(5-bromofuran-2-yl)-2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine has a molecular weight of 317.23 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine is sourced from PubChem (CID 114218323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).