2-(5-bromofuran-2-yl)-3-(cyclobutylamino)propan-1-ol

C11H16BrNO2 — CID 117240298

IUPAC2-(5-bromofuran-2-yl)-3-(cyclobutylamino)propan-1-ol
SMILESOCC(CNC1CCC1)c1ccc(Br)o1
InChIInChI=1S/C11H16BrNO2/c12-11-5-4-10(15-11)8(7-14)6-13-9-2-1-3-9/h4-5,8-9,13-14H,1-3,6-7H2
InChIKeyWHVOZWRXAXTRCL-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.26
Rot. Bonds5

About 2-(5-bromofuran-2-yl)-3-(cyclobutylamino)propan-1-ol

2-(5-bromofuran-2-yl)-3-(cyclobutylamino)propan-1-ol (PubChem CID 117240298) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-3-(cyclobutylamino)propan-1-ol.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-3-(cyclobutylamino)propan-1-ol
PubChem CID117240298
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name2-(5-bromofuran-2-yl)-3-(cyclobutylamino)propan-1-ol
SMILESOCC(CNC1CCC1)c1ccc(Br)o1
InChIInChI=1S/C11H16BrNO2/c12-11-5-4-10(15-11)8(7-14)6-13-9-2-1-3-9/h4-5,8-9,13-14H,1-3,6-7H2
InChIKeyWHVOZWRXAXTRCL-UHFFFAOYSA-N
XLogP2.26
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-3-(cyclobutylamino)propan-1-ol?
The IUPAC name of 2-(5-bromofuran-2-yl)-3-(cyclobutylamino)propan-1-ol (CID 117240298) is 2-(5-bromofuran-2-yl)-3-(cyclobutylamino)propan-1-ol.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-3-(cyclobutylamino)propan-1-ol?
The canonical SMILES for 2-(5-bromofuran-2-yl)-3-(cyclobutylamino)propan-1-ol is OCC(CNC1CCC1)c1ccc(Br)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-3-(cyclobutylamino)propan-1-ol?
The InChIKey is WHVOZWRXAXTRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c12-11-5-4-10(15-11)8(7-14)6-13-9-2-1-3-9/h4-5,8-9,13-14H,1-3,6-7H2.
What are the key properties of 2-(5-bromofuran-2-yl)-3-(cyclobutylamino)propan-1-ol?
2-(5-bromofuran-2-yl)-3-(cyclobutylamino)propan-1-ol has a molecular weight of 274.16 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-3-(cyclobutylamino)propan-1-ol is sourced from PubChem (CID 117240298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).