2-(2-benzofuran-1-yl)-4-tert-butylmorpholine

C16H21NO2 — CID 53423107

IUPAC2-(2-benzofuran-1-yl)-4-tert-butylmorpholine
SMILESCC(C)(C)N1CCOC(c2occ3ccccc23)C1
InChIInChI=1S/C16H21NO2/c1-16(2,3)17-8-9-18-14(10-17)15-13-7-5-4-6-12(13)11-19-15/h4-7,11,14H,8-10H2,1-3H3
InChIKeyZOYQBXIBJSHQLB-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.60
Rot. Bonds1

About 2-(2-benzofuran-1-yl)-4-tert-butylmorpholine

2-(2-benzofuran-1-yl)-4-tert-butylmorpholine (PubChem CID 53423107) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(2-benzofuran-1-yl)-4-tert-butylmorpholine.

Molecular Properties

Compound Name2-(2-benzofuran-1-yl)-4-tert-butylmorpholine
PubChem CID53423107
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-(2-benzofuran-1-yl)-4-tert-butylmorpholine
SMILESCC(C)(C)N1CCOC(c2occ3ccccc23)C1
InChIInChI=1S/C16H21NO2/c1-16(2,3)17-8-9-18-14(10-17)15-13-7-5-4-6-12(13)11-19-15/h4-7,11,14H,8-10H2,1-3H3
InChIKeyZOYQBXIBJSHQLB-UHFFFAOYSA-N
XLogP3.60
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-benzofuran-1-yl)-4-tert-butylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzofuran-1-yl)-4-tert-butylmorpholine?
The IUPAC name of 2-(2-benzofuran-1-yl)-4-tert-butylmorpholine (CID 53423107) is 2-(2-benzofuran-1-yl)-4-tert-butylmorpholine.
What is the SMILES notation for 2-(2-benzofuran-1-yl)-4-tert-butylmorpholine?
The canonical SMILES for 2-(2-benzofuran-1-yl)-4-tert-butylmorpholine is CC(C)(C)N1CCOC(c2occ3ccccc23)C1.
What is the InChIKey of 2-(2-benzofuran-1-yl)-4-tert-butylmorpholine?
The InChIKey is ZOYQBXIBJSHQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-16(2,3)17-8-9-18-14(10-17)15-13-7-5-4-6-12(13)11-19-15/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of 2-(2-benzofuran-1-yl)-4-tert-butylmorpholine?
2-(2-benzofuran-1-yl)-4-tert-butylmorpholine has a molecular weight of 259.35 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzofuran-1-yl)-4-tert-butylmorpholine is sourced from PubChem (CID 53423107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).