2-benzyl-4-[[methyl(2-phenylethyl)amino]methyl]-1-benzofuran-5-ol

C25H25NO2 — CID 71666752

IUPAC2-benzyl-4-[[methyl(2-phenylethyl)amino]methyl]-1-benzofuran-5-ol
SMILESCN(CCc1ccccc1)Cc1c(O)ccc2oc(Cc3ccccc3)cc12
InChIInChI=1S/C25H25NO2/c1-26(15-14-19-8-4-2-5-9-19)18-23-22-17-21(16-20-10-6-3-7-11-20)28-25(22)13-12-24(23)27/h2-13,17,27H,14-16,18H2,1H3
InChIKeySNIJZZFVICCLBZ-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.40
Rot. Bonds7

About 2-benzyl-4-[[methyl(2-phenylethyl)amino]methyl]-1-benzofuran-5-ol

2-benzyl-4-[[methyl(2-phenylethyl)amino]methyl]-1-benzofuran-5-ol (PubChem CID 71666752) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-benzyl-4-[[methyl(2-phenylethyl)amino]methyl]-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-benzyl-4-[[methyl(2-phenylethyl)amino]methyl]-1-benzofuran-5-ol
PubChem CID71666752
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name2-benzyl-4-[[methyl(2-phenylethyl)amino]methyl]-1-benzofuran-5-ol
SMILESCN(CCc1ccccc1)Cc1c(O)ccc2oc(Cc3ccccc3)cc12
InChIInChI=1S/C25H25NO2/c1-26(15-14-19-8-4-2-5-9-19)18-23-22-17-21(16-20-10-6-3-7-11-20)28-25(22)13-12-24(23)27/h2-13,17,27H,14-16,18H2,1H3
InChIKeySNIJZZFVICCLBZ-UHFFFAOYSA-N
XLogP5.40
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[[methyl(2-phenylethyl)amino]methyl]-1-benzofuran-5-ol?
The IUPAC name of 2-benzyl-4-[[methyl(2-phenylethyl)amino]methyl]-1-benzofuran-5-ol (CID 71666752) is 2-benzyl-4-[[methyl(2-phenylethyl)amino]methyl]-1-benzofuran-5-ol.
What is the SMILES notation for 2-benzyl-4-[[methyl(2-phenylethyl)amino]methyl]-1-benzofuran-5-ol?
The canonical SMILES for 2-benzyl-4-[[methyl(2-phenylethyl)amino]methyl]-1-benzofuran-5-ol is CN(CCc1ccccc1)Cc1c(O)ccc2oc(Cc3ccccc3)cc12.
What is the InChIKey of 2-benzyl-4-[[methyl(2-phenylethyl)amino]methyl]-1-benzofuran-5-ol?
The InChIKey is SNIJZZFVICCLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-26(15-14-19-8-4-2-5-9-19)18-23-22-17-21(16-20-10-6-3-7-11-20)28-25(22)13-12-24(23)27/h2-13,17,27H,14-16,18H2,1H3.
What are the key properties of 2-benzyl-4-[[methyl(2-phenylethyl)amino]methyl]-1-benzofuran-5-ol?
2-benzyl-4-[[methyl(2-phenylethyl)amino]methyl]-1-benzofuran-5-ol has a molecular weight of 371.48 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[[methyl(2-phenylethyl)amino]methyl]-1-benzofuran-5-ol is sourced from PubChem (CID 71666752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).