3-[(4,5-dibromofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol

C11H15Br2NO2 — CID 114629020

IUPAC3-[(4,5-dibromofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCc1cc(Br)c(Br)o1
InChIInChI=1S/C11H15Br2NO2/c1-11(2)8(4-9(11)15)14-5-6-3-7(12)10(13)16-6/h3,8-9,14-15H,4-5H2,1-2H3
InChIKeyDUYXOHYQUNGFCG-UHFFFAOYSA-N
MW353.05 g/mol
LogP3.05
Rot. Bonds3

About 3-[(4,5-dibromofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol

3-[(4,5-dibromofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114629020) has the molecular formula C11H15Br2NO2 and a molecular weight of 353.05 g/mol. Its IUPAC name is 3-[(4,5-dibromofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(4,5-dibromofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114629020
Molecular FormulaC11H15Br2NO2
Molecular Weight353.05 g/mol
Exact Mass350.95
IUPAC Name3-[(4,5-dibromofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCc1cc(Br)c(Br)o1
InChIInChI=1S/C11H15Br2NO2/c1-11(2)8(4-9(11)15)14-5-6-3-7(12)10(13)16-6/h3,8-9,14-15H,4-5H2,1-2H3
InChIKeyDUYXOHYQUNGFCG-UHFFFAOYSA-N
XLogP3.05
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.05
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4,5-dibromofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol with MolForge

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Related Compounds

4-[(5-Bromofuran-2-yl)methylamino]-2-methylbutan-2-ol
CID 119048048
[3-Ethoxy-2,2-dimethyl-1-[(5-methylfuran-2-yl)methylamino]cyclobutyl]methanol
CID 121515663
2-[(5-Bromofuran-2-yl)methylamino]cyclopentan-1-ol
CID 121517790
[3-[(5-Bromofuran-2-yl)methylamino]oxolan-3-yl]methanol
CID 121517800
2-[2-[(5-Bromofuran-2-yl)methylamino]cyclopentyl]ethanol
CID 121517805
2-[[(1r)-2-Amino-1-(5-bromo-2-furyl)ethyl]amino]ethanol
CID 129847460
2-[[(1s)-2-Amino-1-(5-bromo-2-furyl)ethyl]amino]ethanol
CID 129847464
N-[(4,5-dibromofuran-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 62083615
N-[(4,5-dibromofuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63827829
3-[(5-Bromofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 103527072
3-[(5-Bromofuran-2-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103527458
3-[(5-Bromofuran-2-yl)methylamino]-2,2-difluoropropan-1-ol
CID 103527703

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dibromofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(4,5-dibromofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol (CID 114629020) is 3-[(4,5-dibromofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(4,5-dibromofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(4,5-dibromofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1NCc1cc(Br)c(Br)o1.
What is the InChIKey of 3-[(4,5-dibromofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is DUYXOHYQUNGFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO2/c1-11(2)8(4-9(11)15)14-5-6-3-7(12)10(13)16-6/h3,8-9,14-15H,4-5H2,1-2H3.
What are the key properties of 3-[(4,5-dibromofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
3-[(4,5-dibromofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 353.05 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dibromofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114629020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).