3-[(5-bromofuran-2-yl)methylamino]-2,3-dimethylbutan-2-ol

C11H18BrNO2 — CID 106186158

IUPAC3-[(5-bromofuran-2-yl)methylamino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCc1ccc(Br)o1
InChIInChI=1S/C11H18BrNO2/c1-10(2,11(3,4)14)13-7-8-5-6-9(12)15-8/h5-6,13-14H,7H2,1-4H3
InChIKeyYLDGFGVSHLJJOT-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.68
Rot. Bonds4

About 3-[(5-bromofuran-2-yl)methylamino]-2,3-dimethylbutan-2-ol

3-[(5-bromofuran-2-yl)methylamino]-2,3-dimethylbutan-2-ol (PubChem CID 106186158) has the molecular formula C11H18BrNO2 and a molecular weight of 276.17 g/mol. Its IUPAC name is 3-[(5-bromofuran-2-yl)methylamino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(5-bromofuran-2-yl)methylamino]-2,3-dimethylbutan-2-ol
PubChem CID106186158
Molecular FormulaC11H18BrNO2
Molecular Weight276.17 g/mol
Exact Mass275.05
IUPAC Name3-[(5-bromofuran-2-yl)methylamino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCc1ccc(Br)o1
InChIInChI=1S/C11H18BrNO2/c1-10(2,11(3,4)14)13-7-8-5-6-9(12)15-8/h5-6,13-14H,7H2,1-4H3
InChIKeyYLDGFGVSHLJJOT-UHFFFAOYSA-N
XLogP2.68
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromofuran-2-yl)methylamino]-2,2,3-trimethylbutanoic acid
CID 65265100
5-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]furan-2-carbonitrile
CID 106186279
1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 16787243
1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103527551
1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol
CID 66178579
N-[(5-bromofuran-2-yl)methyl]-N'-tert-butylpropane-1,3-diamine
CID 115572727
N-[(5-bromofuran-2-yl)methyl]-2-methyl-4-(4-methylpiperazin-1-yl)butan-2-amine
CID 99834061
1-N-[(5-bromofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 28651868
5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 103527615
2-[(5-bromofuran-2-yl)methylamino]propan-1-ol
CID 43499711
2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]phenol
CID 106185668
1-(5-bromofuran-2-yl)-2-methylpropan-2-amine
CID 82661256

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromofuran-2-yl)methylamino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(5-bromofuran-2-yl)methylamino]-2,3-dimethylbutan-2-ol (CID 106186158) is 3-[(5-bromofuran-2-yl)methylamino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(5-bromofuran-2-yl)methylamino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(5-bromofuran-2-yl)methylamino]-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)NCc1ccc(Br)o1.
What is the InChIKey of 3-[(5-bromofuran-2-yl)methylamino]-2,3-dimethylbutan-2-ol?
The InChIKey is YLDGFGVSHLJJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2/c1-10(2,11(3,4)14)13-7-8-5-6-9(12)15-8/h5-6,13-14H,7H2,1-4H3.
What are the key properties of 3-[(5-bromofuran-2-yl)methylamino]-2,3-dimethylbutan-2-ol?
3-[(5-bromofuran-2-yl)methylamino]-2,3-dimethylbutan-2-ol has a molecular weight of 276.17 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromofuran-2-yl)methylamino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106186158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).