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

C13H18BrNO — CID 83049616

IUPAC5-bromo-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2ccc(Br)cc2C1NCC
InChIInChI=1S/C13H18BrNO/c1-3-5-12-13(15-4-2)10-8-9(14)6-7-11(10)16-12/h6-8,12-13,15H,3-5H2,1-2H3
InChIKeyGJZUMJAUWFNEBJ-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.66
Rot. Bonds4

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

5-bromo-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83049616) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83049616
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name5-bromo-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2ccc(Br)cc2C1NCC
InChIInChI=1S/C13H18BrNO/c1-3-5-12-13(15-4-2)10-8-9(14)6-7-11(10)16-12/h6-8,12-13,15H,3-5H2,1-2H3
InChIKeyGJZUMJAUWFNEBJ-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-bromo-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 83049616) is 5-bromo-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCC1Oc2ccc(Br)cc2C1NCC.
What is the InChIKey of 5-bromo-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is GJZUMJAUWFNEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-3-5-12-13(15-4-2)10-8-9(14)6-7-11(10)16-12/h6-8,12-13,15H,3-5H2,1-2H3.
What are the key properties of 5-bromo-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
5-bromo-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 284.20 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83049616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).