3-amino-1-(2,5-dimethylfuran-3-yl)propan-1-ol

C9H15NO2 — CID 65184652

IUPAC3-amino-1-(2,5-dimethylfuran-3-yl)propan-1-ol
SMILESCc1cc(C(O)CCN)c(C)o1
InChIInChI=1S/C9H15NO2/c1-6-5-8(7(2)12-6)9(11)3-4-10/h5,9,11H,3-4,10H2,1-2H3
InChIKeyHPQBWCHMDAXYLP-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.28
Rot. Bonds3

About 3-amino-1-(2,5-dimethylfuran-3-yl)propan-1-ol

3-amino-1-(2,5-dimethylfuran-3-yl)propan-1-ol (PubChem CID 65184652) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-amino-1-(2,5-dimethylfuran-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,5-dimethylfuran-3-yl)propan-1-ol
PubChem CID65184652
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-amino-1-(2,5-dimethylfuran-3-yl)propan-1-ol
SMILESCc1cc(C(O)CCN)c(C)o1
InChIInChI=1S/C9H15NO2/c1-6-5-8(7(2)12-6)9(11)3-4-10/h5,9,11H,3-4,10H2,1-2H3
InChIKeyHPQBWCHMDAXYLP-UHFFFAOYSA-N
XLogP1.28
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(2,5-dimethylfuran-3-yl)propan-1-ol 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 3-amino-1-(2,5-dimethylfuran-3-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(2,5-dimethylfuran-3-yl)propan-1-ol (CID 65184652) is 3-amino-1-(2,5-dimethylfuran-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2,5-dimethylfuran-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2,5-dimethylfuran-3-yl)propan-1-ol is Cc1cc(C(O)CCN)c(C)o1.
What is the InChIKey of 3-amino-1-(2,5-dimethylfuran-3-yl)propan-1-ol?
The InChIKey is HPQBWCHMDAXYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-5-8(7(2)12-6)9(11)3-4-10/h5,9,11H,3-4,10H2,1-2H3.
What are the key properties of 3-amino-1-(2,5-dimethylfuran-3-yl)propan-1-ol?
3-amino-1-(2,5-dimethylfuran-3-yl)propan-1-ol has a molecular weight of 169.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,5-dimethylfuran-3-yl)propan-1-ol is sourced from PubChem (CID 65184652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).