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

C13H17Br2NO — CID 64720848

IUPAC5,7-dibromo-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2cc(Br)cc(Br)c2OC1CC
InChIInChI=1S/C13H17Br2NO/c1-3-5-16-12-9-6-8(14)7-10(15)13(9)17-11(12)4-2/h6-7,11-12,16H,3-5H2,1-2H3
InChIKeyBPYICWCZXCCTKP-UHFFFAOYSA-N
MW363.09 g/mol
LogP4.42
Rot. Bonds4

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

5,7-dibromo-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 64720848) has the molecular formula C13H17Br2NO and a molecular weight of 363.09 g/mol. Its IUPAC name is 5,7-dibromo-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5,7-dibromo-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID64720848
Molecular FormulaC13H17Br2NO
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC Name5,7-dibromo-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2cc(Br)cc(Br)c2OC1CC
InChIInChI=1S/C13H17Br2NO/c1-3-5-16-12-9-6-8(14)7-10(15)13(9)17-11(12)4-2/h6-7,11-12,16H,3-5H2,1-2H3
InChIKeyBPYICWCZXCCTKP-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5,7-dibromo-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 64720848) is 5,7-dibromo-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5,7-dibromo-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5,7-dibromo-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCNC1c2cc(Br)cc(Br)c2OC1CC.
What is the InChIKey of 5,7-dibromo-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is BPYICWCZXCCTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO/c1-3-5-16-12-9-6-8(14)7-10(15)13(9)17-11(12)4-2/h6-7,11-12,16H,3-5H2,1-2H3.
What are the key properties of 5,7-dibromo-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
5,7-dibromo-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 363.09 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 64720848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).