1-[5-(aminomethyl)furan-2-yl]-2-(4-hydroxyphenyl)ethanone

C13H13NO3 — CID 116590112

IUPAC1-[5-(aminomethyl)furan-2-yl]-2-(4-hydroxyphenyl)ethanone
SMILESNCc1ccc(C(=O)Cc2ccc(O)cc2)o1
InChIInChI=1S/C13H13NO3/c14-8-11-5-6-13(17-11)12(16)7-9-1-3-10(15)4-2-9/h1-6,15H,7-8,14H2
InChIKeyVBBYDHHFBYUKGZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.87
Rot. Bonds4

About 1-[5-(aminomethyl)furan-2-yl]-2-(4-hydroxyphenyl)ethanone

1-[5-(aminomethyl)furan-2-yl]-2-(4-hydroxyphenyl)ethanone (PubChem CID 116590112) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-[5-(aminomethyl)furan-2-yl]-2-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-[5-(aminomethyl)furan-2-yl]-2-(4-hydroxyphenyl)ethanone
PubChem CID116590112
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-[5-(aminomethyl)furan-2-yl]-2-(4-hydroxyphenyl)ethanone
SMILESNCc1ccc(C(=O)Cc2ccc(O)cc2)o1
InChIInChI=1S/C13H13NO3/c14-8-11-5-6-13(17-11)12(16)7-9-1-3-10(15)4-2-9/h1-6,15H,7-8,14H2
InChIKeyVBBYDHHFBYUKGZ-UHFFFAOYSA-N
XLogP1.87
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-(aminomethyl)furan-2-yl]-2-(4-hydroxyphenyl)ethanone 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

1-[5-(aminomethyl)furan-2-yl]-3-phenylpropan-1-one
CID 116590055
1-[5-(aminomethyl)furan-2-yl]-2,2,2-trifluoroethanone
CID 82505041
1-[5-(aminomethyl)furan-2-yl]hex-4-yn-1-one
CID 116590203
1-[5-(aminomethyl)furan-2-yl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanone
CID 116590106
1-[5-(aminomethyl)furan-2-yl]-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 116590162
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209
1-(4-amino-3-fluorophenyl)-2-(4-hydroxyphenyl)ethanone
CID 116547280
2-(4-hydroxyphenyl)acetamide;dihydrate
CID 174796457
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 81090221
1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone
CID 115795803
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
sodium 2-(4-hydroxyphenyl)acetate
CID 23664575

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)furan-2-yl]-2-(4-hydroxyphenyl)ethanone?
The IUPAC name of 1-[5-(aminomethyl)furan-2-yl]-2-(4-hydroxyphenyl)ethanone (CID 116590112) is 1-[5-(aminomethyl)furan-2-yl]-2-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-[5-(aminomethyl)furan-2-yl]-2-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-[5-(aminomethyl)furan-2-yl]-2-(4-hydroxyphenyl)ethanone is NCc1ccc(C(=O)Cc2ccc(O)cc2)o1.
What is the InChIKey of 1-[5-(aminomethyl)furan-2-yl]-2-(4-hydroxyphenyl)ethanone?
The InChIKey is VBBYDHHFBYUKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c14-8-11-5-6-13(17-11)12(16)7-9-1-3-10(15)4-2-9/h1-6,15H,7-8,14H2.
What are the key properties of 1-[5-(aminomethyl)furan-2-yl]-2-(4-hydroxyphenyl)ethanone?
1-[5-(aminomethyl)furan-2-yl]-2-(4-hydroxyphenyl)ethanone has a molecular weight of 231.25 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)furan-2-yl]-2-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 116590112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).