5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine

C10H11Br2NO — CID 64719518

IUPAC5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2c(Br)cc(Br)cc21
InChIInChI=1S/C10H11Br2NO/c1-2-13-9-5-14-10-7(9)3-6(11)4-8(10)12/h3-4,9,13H,2,5H2,1H3
InChIKeyMLIFUPNODPUYHX-UHFFFAOYSA-N
MW321.01 g/mol
LogP3.25
Rot. Bonds2

About 5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine

5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 64719518) has the molecular formula C10H11Br2NO and a molecular weight of 321.01 g/mol. Its IUPAC name is 5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID64719518
Molecular FormulaC10H11Br2NO
Molecular Weight321.01 g/mol
Exact Mass318.92
IUPAC Name5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2c(Br)cc(Br)cc21
InChIInChI=1S/C10H11Br2NO/c1-2-13-9-5-14-10-7(9)3-6(11)4-8(10)12/h3-4,9,13H,2,5H2,1H3
InChIKeyMLIFUPNODPUYHX-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.01
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine (CID 64719518) is 5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine is CCNC1COc2c(Br)cc(Br)cc21.
What is the InChIKey of 5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is MLIFUPNODPUYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO/c1-2-13-9-5-14-10-7(9)3-6(11)4-8(10)12/h3-4,9,13H,2,5H2,1H3.
What are the key properties of 5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine?
5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 321.01 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 64719518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).