2-(3-bromofuran-2-yl)-4-(2-methoxyethylamino)butan-2-ol

C11H18BrNO3 — CID 66002880

IUPAC2-(3-bromofuran-2-yl)-4-(2-methoxyethylamino)butan-2-ol
SMILESCOCCNCCC(C)(O)c1occc1Br
InChIInChI=1S/C11H18BrNO3/c1-11(14,4-5-13-6-8-15-2)10-9(12)3-7-16-10/h3,7,13-14H,4-6,8H2,1-2H3
InChIKeyPVDIRJAJYWAUPC-UHFFFAOYSA-N
MW292.17 g/mol
LogP1.88
Rot. Bonds7

About 2-(3-bromofuran-2-yl)-4-(2-methoxyethylamino)butan-2-ol

2-(3-bromofuran-2-yl)-4-(2-methoxyethylamino)butan-2-ol (PubChem CID 66002880) has the molecular formula C11H18BrNO3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-4-(2-methoxyethylamino)butan-2-ol.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-4-(2-methoxyethylamino)butan-2-ol
PubChem CID66002880
Molecular FormulaC11H18BrNO3
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC Name2-(3-bromofuran-2-yl)-4-(2-methoxyethylamino)butan-2-ol
SMILESCOCCNCCC(C)(O)c1occc1Br
InChIInChI=1S/C11H18BrNO3/c1-11(14,4-5-13-6-8-15-2)10-9(12)3-7-16-10/h3,7,13-14H,4-6,8H2,1-2H3
InChIKeyPVDIRJAJYWAUPC-UHFFFAOYSA-N
XLogP1.88
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-bromofuran-2-yl)-4-(2-methoxyethylamino)butan-2-ol?
The IUPAC name of 2-(3-bromofuran-2-yl)-4-(2-methoxyethylamino)butan-2-ol (CID 66002880) is 2-(3-bromofuran-2-yl)-4-(2-methoxyethylamino)butan-2-ol.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-4-(2-methoxyethylamino)butan-2-ol?
The canonical SMILES for 2-(3-bromofuran-2-yl)-4-(2-methoxyethylamino)butan-2-ol is COCCNCCC(C)(O)c1occc1Br.
What is the InChIKey of 2-(3-bromofuran-2-yl)-4-(2-methoxyethylamino)butan-2-ol?
The InChIKey is PVDIRJAJYWAUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO3/c1-11(14,4-5-13-6-8-15-2)10-9(12)3-7-16-10/h3,7,13-14H,4-6,8H2,1-2H3.
What are the key properties of 2-(3-bromofuran-2-yl)-4-(2-methoxyethylamino)butan-2-ol?
2-(3-bromofuran-2-yl)-4-(2-methoxyethylamino)butan-2-ol has a molecular weight of 292.17 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-4-(2-methoxyethylamino)butan-2-ol is sourced from PubChem (CID 66002880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).