3-[(5-bromo-2-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol

C15H13BrFNO2 — CID 61299065

IUPAC3-[(5-bromo-2-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2NCc1cc(Br)ccc1F
InChIInChI=1S/C15H13BrFNO2/c16-10-1-4-13(17)9(5-10)7-18-14-8-20-15-6-11(19)2-3-12(14)15/h1-6,14,18-19H,7-8H2
InChIKeyYRFASKGOYZROEM-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.52
Rot. Bonds3

About 3-[(5-bromo-2-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol

3-[(5-bromo-2-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 61299065) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 3-[(5-bromo-2-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[(5-bromo-2-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID61299065
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name3-[(5-bromo-2-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2NCc1cc(Br)ccc1F
InChIInChI=1S/C15H13BrFNO2/c16-10-1-4-13(17)9(5-10)7-18-14-8-20-15-6-11(19)2-3-12(14)15/h1-6,14,18-19H,7-8H2
InChIKeyYRFASKGOYZROEM-UHFFFAOYSA-N
XLogP3.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(5-bromo-2-fluorophenyl)methylamino]-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-[(3-chloro-4-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 62538426
3-(2-hydroxyethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43151123
3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43298363
3-(4-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43194315
4-chloro-2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenol
CID 63378435
3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 106126397
3-(1H-imidazol-2-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 64548395
3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 107596905
3-[2-(4-bromophenyl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 43740842
4-[[(5-bromo-2-fluorophenyl)methylamino]methyl]benzene-1,3-diol
CID 61299654
methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate
CID 43190825
3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62693908

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[(5-bromo-2-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol (CID 61299065) is 3-[(5-bromo-2-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[(5-bromo-2-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[(5-bromo-2-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol is Oc1ccc2c(c1)OCC2NCc1cc(Br)ccc1F.
What is the InChIKey of 3-[(5-bromo-2-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is YRFASKGOYZROEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c16-10-1-4-13(17)9(5-10)7-18-14-8-20-15-6-11(19)2-3-12(14)15/h1-6,14,18-19H,7-8H2.
What are the key properties of 3-[(5-bromo-2-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
3-[(5-bromo-2-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 338.18 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 61299065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).