3-[2-(4-bromophenyl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol

C17H18BrNO2 — CID 43740842

IUPAC3-[2-(4-bromophenyl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCC(C)(NC1COc2cc(O)ccc21)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO2/c1-17(2,11-3-5-12(18)6-4-11)19-15-10-21-16-9-13(20)7-8-14(15)16/h3-9,15,19-20H,10H2,1-2H3
InChIKeyFQSWYTWEEQOXHG-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.11
Rot. Bonds3

About 3-[2-(4-bromophenyl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol

3-[2-(4-bromophenyl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 43740842) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 3-[2-(4-bromophenyl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[2-(4-bromophenyl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID43740842
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name3-[2-(4-bromophenyl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCC(C)(NC1COc2cc(O)ccc21)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO2/c1-17(2,11-3-5-12(18)6-4-11)19-15-10-21-16-9-13(20)7-8-14(15)16/h3-9,15,19-20H,10H2,1-2H3
InChIKeyFQSWYTWEEQOXHG-UHFFFAOYSA-N
XLogP4.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(4-bromophenyl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-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-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43126164
3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 107596905
3-[(5-bromo-2-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 61299065
3-[(2-tert-butylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43673932
3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 106145519
3-(2-hydroxyethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43151123
3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62416499
3-(4-bromo-2-nitroanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43746630
N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 165396334
3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43609955
3-[[(1S)-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81350810
3-(4-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43194315

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenyl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[2-(4-bromophenyl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol (CID 43740842) is 3-[2-(4-bromophenyl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[2-(4-bromophenyl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[2-(4-bromophenyl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol is CC(C)(NC1COc2cc(O)ccc21)c1ccc(Br)cc1.
What is the InChIKey of 3-[2-(4-bromophenyl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is FQSWYTWEEQOXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-17(2,11-3-5-12(18)6-4-11)19-15-10-21-16-9-13(20)7-8-14(15)16/h3-9,15,19-20H,10H2,1-2H3.
What are the key properties of 3-[2-(4-bromophenyl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol?
3-[2-(4-bromophenyl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 348.24 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenyl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 43740842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).