4-(2-benzyl-5-bromo-1-benzofuran-3-yl)morpholine

C19H18BrNO2 — CID 53244075

IUPAC4-(2-benzyl-5-bromo-1-benzofuran-3-yl)morpholine
SMILESBrc1ccc2oc(Cc3ccccc3)c(N3CCOCC3)c2c1
InChIInChI=1S/C19H18BrNO2/c20-15-6-7-17-16(13-15)19(21-8-10-22-11-9-21)18(23-17)12-14-4-2-1-3-5-14/h1-7,13H,8-12H2
InChIKeyRSLFLFWSZJQYPD-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.62
Rot. Bonds3

About 4-(2-benzyl-5-bromo-1-benzofuran-3-yl)morpholine

4-(2-benzyl-5-bromo-1-benzofuran-3-yl)morpholine (PubChem CID 53244075) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 4-(2-benzyl-5-bromo-1-benzofuran-3-yl)morpholine.

Molecular Properties

Compound Name4-(2-benzyl-5-bromo-1-benzofuran-3-yl)morpholine
PubChem CID53244075
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name4-(2-benzyl-5-bromo-1-benzofuran-3-yl)morpholine
SMILESBrc1ccc2oc(Cc3ccccc3)c(N3CCOCC3)c2c1
InChIInChI=1S/C19H18BrNO2/c20-15-6-7-17-16(13-15)19(21-8-10-22-11-9-21)18(23-17)12-14-4-2-1-3-5-14/h1-7,13H,8-12H2
InChIKeyRSLFLFWSZJQYPD-UHFFFAOYSA-N
XLogP4.62
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzyl-5-bromo-1-benzofuran-3-yl)morpholine?
The IUPAC name of 4-(2-benzyl-5-bromo-1-benzofuran-3-yl)morpholine (CID 53244075) is 4-(2-benzyl-5-bromo-1-benzofuran-3-yl)morpholine.
What is the SMILES notation for 4-(2-benzyl-5-bromo-1-benzofuran-3-yl)morpholine?
The canonical SMILES for 4-(2-benzyl-5-bromo-1-benzofuran-3-yl)morpholine is Brc1ccc2oc(Cc3ccccc3)c(N3CCOCC3)c2c1.
What is the InChIKey of 4-(2-benzyl-5-bromo-1-benzofuran-3-yl)morpholine?
The InChIKey is RSLFLFWSZJQYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2/c20-15-6-7-17-16(13-15)19(21-8-10-22-11-9-21)18(23-17)12-14-4-2-1-3-5-14/h1-7,13H,8-12H2.
What are the key properties of 4-(2-benzyl-5-bromo-1-benzofuran-3-yl)morpholine?
4-(2-benzyl-5-bromo-1-benzofuran-3-yl)morpholine has a molecular weight of 372.26 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzyl-5-bromo-1-benzofuran-3-yl)morpholine is sourced from PubChem (CID 53244075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).