3-[(cyclobutylamino)methyl]-1-benzofuran-4-ol

C13H15NO2 — CID 117170251

IUPAC3-[(cyclobutylamino)methyl]-1-benzofuran-4-ol
SMILESOc1cccc2occ(CNC3CCC3)c12
InChIInChI=1S/C13H15NO2/c15-11-5-2-6-12-13(11)9(8-16-12)7-14-10-3-1-4-10/h2,5-6,8,10,14-15H,1,3-4,7H2
InChIKeyOZNYQJUJTFVIKD-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.78
Rot. Bonds3

About 3-[(cyclobutylamino)methyl]-1-benzofuran-4-ol

3-[(cyclobutylamino)methyl]-1-benzofuran-4-ol (PubChem CID 117170251) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[(cyclobutylamino)methyl]-1-benzofuran-4-ol.

Molecular Properties

Compound Name3-[(cyclobutylamino)methyl]-1-benzofuran-4-ol
PubChem CID117170251
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-[(cyclobutylamino)methyl]-1-benzofuran-4-ol
SMILESOc1cccc2occ(CNC3CCC3)c12
InChIInChI=1S/C13H15NO2/c15-11-5-2-6-12-13(11)9(8-16-12)7-14-10-3-1-4-10/h2,5-6,8,10,14-15H,1,3-4,7H2
InChIKeyOZNYQJUJTFVIKD-UHFFFAOYSA-N
XLogP2.78
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(cyclobutylamino)methyl]-1-benzofuran-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

N-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine
CID 117174185
3-[(cyclobutylamino)methyl]-1-benzofuran-7-carboxylic acid
CID 117181152
3-[(cyclobutylamino)methyl]-1-ethylindol-4-ol
CID 117171699
4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine
CID 80700876
2-(1-benzofuran-3-yl)-N-cyclopentylacetamide
CID 110848759
3-[(cyclopentylamino)methyl]-1-ethylindol-4-ol
CID 117171709
2-[(cyclobutylamino)methyl]-5-fluorophenol
CID 117220815
2-[(cyclobutylamino)methyl]-1-benzofuran-7-ol
CID 117182713
N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine
CID 115750478
4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile
CID 115150174
3-[(cyclobutylamino)methyl]phenol
CID 62416890
cis-(1R,3S)-3-[(2-bromo-3-hydroxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 167902405

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclobutylamino)methyl]-1-benzofuran-4-ol?
The IUPAC name of 3-[(cyclobutylamino)methyl]-1-benzofuran-4-ol (CID 117170251) is 3-[(cyclobutylamino)methyl]-1-benzofuran-4-ol.
What is the SMILES notation for 3-[(cyclobutylamino)methyl]-1-benzofuran-4-ol?
The canonical SMILES for 3-[(cyclobutylamino)methyl]-1-benzofuran-4-ol is Oc1cccc2occ(CNC3CCC3)c12.
What is the InChIKey of 3-[(cyclobutylamino)methyl]-1-benzofuran-4-ol?
The InChIKey is OZNYQJUJTFVIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-11-5-2-6-12-13(11)9(8-16-12)7-14-10-3-1-4-10/h2,5-6,8,10,14-15H,1,3-4,7H2.
What are the key properties of 3-[(cyclobutylamino)methyl]-1-benzofuran-4-ol?
3-[(cyclobutylamino)methyl]-1-benzofuran-4-ol has a molecular weight of 217.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclobutylamino)methyl]-1-benzofuran-4-ol is sourced from PubChem (CID 117170251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).