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

C14H20N2O2 — CID 115120994

IUPAC2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]propan-1-ol
SMILESCN(CCc1coc2ccccc12)CC(N)CO
InChIInChI=1S/C14H20N2O2/c1-16(8-12(15)9-17)7-6-11-10-18-14-5-3-2-4-13(11)14/h2-5,10,12,17H,6-9,15H2,1H3
InChIKeyLBWUXDALVNDNQE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.23
Rot. Bonds6

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

2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]propan-1-ol (PubChem CID 115120994) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]propan-1-ol
PubChem CID115120994
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]propan-1-ol
SMILESCN(CCc1coc2ccccc12)CC(N)CO
InChIInChI=1S/C14H20N2O2/c1-16(8-12(15)9-17)7-6-11-10-18-14-5-3-2-4-13(11)14/h2-5,10,12,17H,6-9,15H2,1H3
InChIKeyLBWUXDALVNDNQE-UHFFFAOYSA-N
XLogP1.23
TPSA62.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]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

1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea
CID 115168716
2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide
CID 115151779
2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol
CID 115252165
2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115180017
N-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide
CID 115166767
2-[2-(1-benzofuran-3-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128171
2-N-[2-(1-benzofuran-3-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115133037
1-[[2-(1-benzofuran-3-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242624
1-(1-benzofuran-3-yl)butan-2-amine
CID 80702281
N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 141098379
2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide
CID 116849154
2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol
CID 80702163

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]propan-1-ol?
The IUPAC name of 2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]propan-1-ol (CID 115120994) is 2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]propan-1-ol?
The canonical SMILES for 2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]propan-1-ol is CN(CCc1coc2ccccc12)CC(N)CO.
What is the InChIKey of 2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]propan-1-ol?
The InChIKey is LBWUXDALVNDNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(8-12(15)9-17)7-6-11-10-18-14-5-3-2-4-13(11)14/h2-5,10,12,17H,6-9,15H2,1H3.
What are the key properties of 2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]propan-1-ol?
2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]propan-1-ol has a molecular weight of 248.33 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]propan-1-ol is sourced from PubChem (CID 115120994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).