4-[(5-bromofuran-2-yl)methylamino]-2-methylbutan-2-ol

C10H16BrNO2 — CID 119048048

IUPAC4-[(5-bromofuran-2-yl)methylamino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCNCc1ccc(Br)o1
InChIInChI=1S/C10H16BrNO2/c1-10(2,13)5-6-12-7-8-3-4-9(11)14-8/h3-4,12-13H,5-7H2,1-2H3
InChIKeyZQUSRHILKTYZMC-UHFFFAOYSA-N
MW262.15 g/mol
LogP2.29
Rot. Bonds5

About 4-[(5-bromofuran-2-yl)methylamino]-2-methylbutan-2-ol

4-[(5-bromofuran-2-yl)methylamino]-2-methylbutan-2-ol (PubChem CID 119048048) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is 4-[(5-bromofuran-2-yl)methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[(5-bromofuran-2-yl)methylamino]-2-methylbutan-2-ol
PubChem CID119048048
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC Name4-[(5-bromofuran-2-yl)methylamino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCNCc1ccc(Br)o1
InChIInChI=1S/C10H16BrNO2/c1-10(2,13)5-6-12-7-8-3-4-9(11)14-8/h3-4,12-13H,5-7H2,1-2H3
InChIKeyZQUSRHILKTYZMC-UHFFFAOYSA-N
XLogP2.29
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.29
H-Bond Donors ≤ 52
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 4-[(5-bromofuran-2-yl)methylamino]-2-methylbutan-2-ol?
The IUPAC name of 4-[(5-bromofuran-2-yl)methylamino]-2-methylbutan-2-ol (CID 119048048) is 4-[(5-bromofuran-2-yl)methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[(5-bromofuran-2-yl)methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[(5-bromofuran-2-yl)methylamino]-2-methylbutan-2-ol is CC(C)(O)CCNCc1ccc(Br)o1.
What is the InChIKey of 4-[(5-bromofuran-2-yl)methylamino]-2-methylbutan-2-ol?
The InChIKey is ZQUSRHILKTYZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2/c1-10(2,13)5-6-12-7-8-3-4-9(11)14-8/h3-4,12-13H,5-7H2,1-2H3.
What are the key properties of 4-[(5-bromofuran-2-yl)methylamino]-2-methylbutan-2-ol?
4-[(5-bromofuran-2-yl)methylamino]-2-methylbutan-2-ol has a molecular weight of 262.15 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromofuran-2-yl)methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 119048048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).