1-amino-3-(1-benzofuran-3-yl)propan-2-ol

C11H13NO2 — CID 116859204

IUPAC1-amino-3-(1-benzofuran-3-yl)propan-2-ol
SMILESNCC(O)Cc1coc2ccccc12
InChIInChI=1S/C11H13NO2/c12-6-9(13)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,13H,5-6,12H2
InChIKeyKPJTXUZZMATUIN-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.29
Rot. Bonds3

About 1-amino-3-(1-benzofuran-3-yl)propan-2-ol

1-amino-3-(1-benzofuran-3-yl)propan-2-ol (PubChem CID 116859204) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-amino-3-(1-benzofuran-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(1-benzofuran-3-yl)propan-2-ol
PubChem CID116859204
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-amino-3-(1-benzofuran-3-yl)propan-2-ol
SMILESNCC(O)Cc1coc2ccccc12
InChIInChI=1S/C11H13NO2/c12-6-9(13)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,13H,5-6,12H2
InChIKeyKPJTXUZZMATUIN-UHFFFAOYSA-N
XLogP1.29
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-3-(1-benzofuran-3-yl)propan-2-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

2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol
CID 80702163
1-(4-aminopiperidin-1-yl)-3-(1-benzofuran-3-yl)propan-2-ol
CID 18351380
2-amino-3-(1-benzofuran-3-yl)propanamide
CID 116850913
1-(1-benzofuran-3-yl)butan-2-amine
CID 80702281
4-(1-benzofuran-3-yl)-3-methylbutanoic acid
CID 116926807
[(1S)-2-(1-benzofuran-3-yl)-1-chloroethyl]boronic acid
CID 175781781
2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine
CID 80702671
2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide
CID 116849154
(2S)-3-(1-benzofuran-3-yl)-2-(methylamino)propanoic acid
CID 172529455
N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine
CID 115204462
10-(1-benzofuran-3-yl)decan-1-amine
CID 152675893
1-(1-benzofuran-3-yl)-3-methylbutan-2-one
CID 164836556

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-benzofuran-3-yl)propan-2-ol?
The IUPAC name of 1-amino-3-(1-benzofuran-3-yl)propan-2-ol (CID 116859204) is 1-amino-3-(1-benzofuran-3-yl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(1-benzofuran-3-yl)propan-2-ol?
The canonical SMILES for 1-amino-3-(1-benzofuran-3-yl)propan-2-ol is NCC(O)Cc1coc2ccccc12.
What is the InChIKey of 1-amino-3-(1-benzofuran-3-yl)propan-2-ol?
The InChIKey is KPJTXUZZMATUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c12-6-9(13)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,13H,5-6,12H2.
What are the key properties of 1-amino-3-(1-benzofuran-3-yl)propan-2-ol?
1-amino-3-(1-benzofuran-3-yl)propan-2-ol has a molecular weight of 191.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-benzofuran-3-yl)propan-2-ol is sourced from PubChem (CID 116859204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).