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

C13H17NO2 — CID 64812611

IUPAC3-amino-3-(3-ethyl-1-benzofuran-2-yl)propan-1-ol
SMILESCCc1c(C(N)CCO)oc2ccccc12
InChIInChI=1S/C13H17NO2/c1-2-9-10-5-3-4-6-12(10)16-13(9)11(14)7-8-15/h3-6,11,15H,2,7-8,14H2,1H3
InChIKeyQYJZEUIFCQTKOB-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.38
Rot. Bonds4

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

3-amino-3-(3-ethyl-1-benzofuran-2-yl)propan-1-ol (PubChem CID 64812611) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-amino-3-(3-ethyl-1-benzofuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(3-ethyl-1-benzofuran-2-yl)propan-1-ol
PubChem CID64812611
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-amino-3-(3-ethyl-1-benzofuran-2-yl)propan-1-ol
SMILESCCc1c(C(N)CCO)oc2ccccc12
InChIInChI=1S/C13H17NO2/c1-2-9-10-5-3-4-6-12(10)16-13(9)11(14)7-8-15/h3-6,11,15H,2,7-8,14H2,1H3
InChIKeyQYJZEUIFCQTKOB-UHFFFAOYSA-N
XLogP2.38
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-3-(3-ethyl-1-benzofuran-2-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

Related Compounds

3-(3-ethyl-1-benzofuran-2-yl)butanoic acid
CID 43211333
2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43207567
1-(3-ethyl-1-benzofuran-2-yl)-2-(propylamino)ethanol
CID 10423975
2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 43551834
ethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate
CID 61498346
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol
CID 78997742
dibenzofuran;ethanol
CID 174821059
1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,5-dimethylpiperazine
CID 63862790
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106349047
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43099760
3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103921055
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine
CID 55067360

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-ethyl-1-benzofuran-2-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(3-ethyl-1-benzofuran-2-yl)propan-1-ol (CID 64812611) is 3-amino-3-(3-ethyl-1-benzofuran-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(3-ethyl-1-benzofuran-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(3-ethyl-1-benzofuran-2-yl)propan-1-ol is CCc1c(C(N)CCO)oc2ccccc12.
What is the InChIKey of 3-amino-3-(3-ethyl-1-benzofuran-2-yl)propan-1-ol?
The InChIKey is QYJZEUIFCQTKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-9-10-5-3-4-6-12(10)16-13(9)11(14)7-8-15/h3-6,11,15H,2,7-8,14H2,1H3.
What are the key properties of 3-amino-3-(3-ethyl-1-benzofuran-2-yl)propan-1-ol?
3-amino-3-(3-ethyl-1-benzofuran-2-yl)propan-1-ol has a molecular weight of 219.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-ethyl-1-benzofuran-2-yl)propan-1-ol is sourced from PubChem (CID 64812611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).