1-(1-benzofuran-7-yloxy)-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride

C21H24ClNO3 — CID 67884292

IUPAC1-(1-benzofuran-7-yloxy)-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(O)C(NC1CCc2ccccc2C1)Oc1cccc2ccoc12.Cl
InChIInChI=1S/C21H23NO3.ClH/c1-14(23)21(25-19-8-4-7-16-11-12-24-20(16)19)22-18-10-9-15-5-2-3-6-17(15)13-18;/h2-8,11-12,14,18,21-23H,9-10,13H2,1H3;1H
InChIKeyVBPLJKZEQNBLHJ-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.09
Rot. Bonds5

About 1-(1-benzofuran-7-yloxy)-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride

1-(1-benzofuran-7-yloxy)-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 67884292) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is 1-(1-benzofuran-7-yloxy)-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(1-benzofuran-7-yloxy)-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride
PubChem CID67884292
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name1-(1-benzofuran-7-yloxy)-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(O)C(NC1CCc2ccccc2C1)Oc1cccc2ccoc12.Cl
InChIInChI=1S/C21H23NO3.ClH/c1-14(23)21(25-19-8-4-7-16-11-12-24-20(16)19)22-18-10-9-15-5-2-3-6-17(15)13-18;/h2-8,11-12,14,18,21-23H,9-10,13H2,1H3;1H
InChIKeyVBPLJKZEQNBLHJ-UHFFFAOYSA-N
XLogP4.09
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(1-benzofuran-7-yloxy)-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-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

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-7-yloxy)-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(1-benzofuran-7-yloxy)-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride (CID 67884292) is 1-(1-benzofuran-7-yloxy)-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(1-benzofuran-7-yloxy)-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(1-benzofuran-7-yloxy)-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride is CC(O)C(NC1CCc2ccccc2C1)Oc1cccc2ccoc12.Cl.
What is the InChIKey of 1-(1-benzofuran-7-yloxy)-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is VBPLJKZEQNBLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3.ClH/c1-14(23)21(25-19-8-4-7-16-11-12-24-20(16)19)22-18-10-9-15-5-2-3-6-17(15)13-18;/h2-8,11-12,14,18,21-23H,9-10,13H2,1H3;1H.
What are the key properties of 1-(1-benzofuran-7-yloxy)-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride?
1-(1-benzofuran-7-yloxy)-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-7-yloxy)-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 67884292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).