3-(1-aminoethyl)-1-benzofuran-5-ol;hydrochloride

C10H12ClNO2 — CID 46741355

IUPAC3-(1-aminoethyl)-1-benzofuran-5-ol;hydrochloride
SMILESCC(N)c1coc2ccc(O)cc12.Cl
InChIInChI=1S/C10H11NO2.ClH/c1-6(11)9-5-13-10-3-2-7(12)4-8(9)10;/h2-6,12H,11H2,1H3;1H
InChIKeyPCNDKSFOZHOMDG-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.58
Rot. Bonds1

About 3-(1-aminoethyl)-1-benzofuran-5-ol;hydrochloride

3-(1-aminoethyl)-1-benzofuran-5-ol;hydrochloride (PubChem CID 46741355) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1-benzofuran-5-ol;hydrochloride.

Molecular Properties

Compound Name3-(1-aminoethyl)-1-benzofuran-5-ol;hydrochloride
PubChem CID46741355
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name3-(1-aminoethyl)-1-benzofuran-5-ol;hydrochloride
SMILESCC(N)c1coc2ccc(O)cc12.Cl
InChIInChI=1S/C10H11NO2.ClH/c1-6(11)9-5-13-10-3-2-7(12)4-8(9)10;/h2-6,12H,11H2,1H3;1H
InChIKeyPCNDKSFOZHOMDG-UHFFFAOYSA-N
XLogP2.58
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-aminoethyl)-1-benzofuran-5-ol;hydrochloride 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

5-fluoro-3-propan-2-yl-1-benzofuran
CID 23568686
5-tert-butyl-3-propan-2-yl-1-benzofuran
CID 176774938
3-[(1R)-1-aminoethyl]-4-methoxyphenol
CID 131197518
methyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate
CID 84673872
(5-hydroxy-1-benzofuran-3-yl)-(5-methyl-2,5-dihydrofuran-2-yl)methanone
CID 24869947
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-5-ol
CID 117174309
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624
4-(1-aminoethyl)furan-2-ol
CID 130000619
cyclopropyl-(5-hydroxy-1-benzofuran-3-yl)methanone
CID 760965
7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one
CID 11024901
2-[5-(trifluoromethyl)-1-benzofuran-3-yl]propanoic acid
CID 117120641
1-amino-1-(1-benzofuran-3-yl)propan-2-one
CID 55273195

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-1-benzofuran-5-ol;hydrochloride?
The IUPAC name of 3-(1-aminoethyl)-1-benzofuran-5-ol;hydrochloride (CID 46741355) is 3-(1-aminoethyl)-1-benzofuran-5-ol;hydrochloride.
What is the SMILES notation for 3-(1-aminoethyl)-1-benzofuran-5-ol;hydrochloride?
The canonical SMILES for 3-(1-aminoethyl)-1-benzofuran-5-ol;hydrochloride is CC(N)c1coc2ccc(O)cc12.Cl.
What is the InChIKey of 3-(1-aminoethyl)-1-benzofuran-5-ol;hydrochloride?
The InChIKey is PCNDKSFOZHOMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.ClH/c1-6(11)9-5-13-10-3-2-7(12)4-8(9)10;/h2-6,12H,11H2,1H3;1H.
What are the key properties of 3-(1-aminoethyl)-1-benzofuran-5-ol;hydrochloride?
3-(1-aminoethyl)-1-benzofuran-5-ol;hydrochloride has a molecular weight of 213.66 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1-benzofuran-5-ol;hydrochloride is sourced from PubChem (CID 46741355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).