1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine

C13H18BrNO — CID 104541441

IUPAC1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C13H18BrNO/c1-8(2)5-12(15)11-7-10(14)6-9-3-4-16-13(9)11/h6-8,12H,3-5,15H2,1-2H3
InChIKeyIANLWXDYMAAFFG-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.43
Rot. Bonds3

About 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine (PubChem CID 104541441) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine
PubChem CID104541441
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C13H18BrNO/c1-8(2)5-12(15)11-7-10(14)6-9-3-4-16-13(9)11/h6-8,12H,3-5,15H2,1-2H3
InChIKeyIANLWXDYMAAFFG-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392
4-amino-4-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)butanoic acid
CID 104541970
5-bromo-7-(1-chloro-2-methylpropyl)-2,3-dihydro-1-benzofuran
CID 104543317
(1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol
CID 104545355
methyl 4-amino-4-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylbutanoate
CID 104541955
2-[2-amino-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethoxy]acetic acid
CID 104541953
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-4-methylpentan-1-amine
CID 104541854
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanamine
CID 104541545
ethyl 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetate
CID 117484723
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol
CID 107980780
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-methylfuran-2-yl)methanamine
CID 104541452
1-[1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]triazol-4-yl]ethanamine
CID 114420187

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine (CID 104541441) is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine is CC(C)CC(N)c1cc(Br)cc2c1OCC2.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine?
The InChIKey is IANLWXDYMAAFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-8(2)5-12(15)11-7-10(14)6-9-3-4-16-13(9)11/h6-8,12H,3-5,15H2,1-2H3.
What are the key properties of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine?
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine has a molecular weight of 284.20 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 104541441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).