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

C18H19NO2 — CID 657581

IUPAC2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol
SMILESCN(C)Cc1c(O)ccc2oc(Cc3ccccc3)cc12
InChIInChI=1S/C18H19NO2/c1-19(2)12-16-15-11-14(10-13-6-4-3-5-7-13)21-18(15)9-8-17(16)20/h3-9,11,20H,10,12H2,1-2H3
InChIKeyIIHQWGVGNVVDIB-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.79
Rot. Bonds4

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

2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol (PubChem CID 657581) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol
PubChem CID657581
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC Name2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol
SMILESCN(C)Cc1c(O)ccc2oc(Cc3ccccc3)cc12
InChIInChI=1S/C18H19NO2/c1-19(2)12-16-15-11-14(10-13-6-4-3-5-7-13)21-18(15)9-8-17(16)20/h3-9,11,20H,10,12H2,1-2H3
InChIKeyIIHQWGVGNVVDIB-UHFFFAOYSA-N
XLogP3.79
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.79
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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Related Compounds

5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)benzofuran-3-carboxamide
CID 122644519
S24014
CID 9998187
Phenicaberan
CID 40122
5-Methoxy-N,N-dimethyl-3-benzofuranethanamine
CID 126589
Ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate
CID 2129850
N-[2-(5-Methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-acetamide
CID 9839629
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-acrylamide
CID 9884156
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-acetamide
CID 9927219
But-3-enoic acid [2-(5-methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-amide
CID 10925712
But-3-enoic acid [2-(2-benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-amide
CID 10926138
N-[2-(5-Methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-acrylamide
CID 11723593
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-butyramide
CID 11810280

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol?
The IUPAC name of 2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol (CID 657581) is 2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol.
What is the SMILES notation for 2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol?
The canonical SMILES for 2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol is CN(C)Cc1c(O)ccc2oc(Cc3ccccc3)cc12.
What is the InChIKey of 2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol?
The InChIKey is IIHQWGVGNVVDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-19(2)12-16-15-11-14(10-13-6-4-3-5-7-13)21-18(15)9-8-17(16)20/h3-9,11,20H,10,12H2,1-2H3.
What are the key properties of 2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol?
2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol has a molecular weight of 281.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol is sourced from PubChem (CID 657581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).