1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine

C13H15Br2NO — CID 65439503

IUPAC1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1cc2cc(Br)cc(Br)c2o1
InChIInChI=1S/C13H15Br2NO/c1-13(2,3)12(16)10-5-7-4-8(14)6-9(15)11(7)17-10/h4-6,12H,16H2,1-3H3
InChIKeyNCRUIQYBWCYICU-UHFFFAOYSA-N
MW361.08 g/mol
LogP5.00
Rot. Bonds1

About 1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine

1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine (PubChem CID 65439503) has the molecular formula C13H15Br2NO and a molecular weight of 361.08 g/mol. Its IUPAC name is 1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine
PubChem CID65439503
Molecular FormulaC13H15Br2NO
Molecular Weight361.08 g/mol
Exact Mass358.95
IUPAC Name1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1cc2cc(Br)cc(Br)c2o1
InChIInChI=1S/C13H15Br2NO/c1-13(2,3)12(16)10-5-7-4-8(14)6-9(15)11(7)17-10/h4-6,12H,16H2,1-3H3
InChIKeyNCRUIQYBWCYICU-UHFFFAOYSA-N
XLogP5.00
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.08
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine
CID 65440371
1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-ol
CID 15350188
1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 65438472
1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65441066
1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanamine
CID 65440930
1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine
CID 65438612
1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 65440043
1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
CID 65440627
1-(7-bromo-5-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 65439262
1-(5-bromo-7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65438311
(5-bromo-7-methyl-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methanamine
CID 115962603
1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-one
CID 15350193

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine (CID 65439503) is 1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1cc2cc(Br)cc(Br)c2o1.
What is the InChIKey of 1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is NCRUIQYBWCYICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO/c1-13(2,3)12(16)10-5-7-4-8(14)6-9(15)11(7)17-10/h4-6,12H,16H2,1-3H3.
What are the key properties of 1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine?
1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 361.08 g/mol, XLogP of 5.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 65439503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).