3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline

C16H15BrFNO2 — CID 65430275

IUPAC3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline
SMILESNc1cc(F)cc(Br)c1OCCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H15BrFNO2/c17-13-8-12(18)9-14(19)16(13)21-5-3-10-1-2-15-11(7-10)4-6-20-15/h1-2,7-9H,3-6,19H2
InChIKeyFAOUDCSTVUTKLG-UHFFFAOYSA-N
MW352.20 g/mol
LogP3.73
Rot. Bonds4

About 3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline

3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline (PubChem CID 65430275) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline.

Molecular Properties

Compound Name3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline
PubChem CID65430275
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline
SMILESNc1cc(F)cc(Br)c1OCCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H15BrFNO2/c17-13-8-12(18)9-14(19)16(13)21-5-3-10-1-2-15-11(7-10)4-6-20-15/h1-2,7-9H,3-6,19H2
InChIKeyFAOUDCSTVUTKLG-UHFFFAOYSA-N
XLogP3.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline 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

4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
CID 103009282
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorophenyl]methanamine
CID 115952093
5-[2-[2-bromo-6-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65446587
5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 107098626
2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
CID 65431769
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline
CID 65430830
5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 107723704
5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-fluoropyridine
CID 113296520
1-(2-bromo-4-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864580
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methylaniline
CID 65430638
5-[2-[2-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 115956716
5-[2-[4-bromo-2-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65445258

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline?
The IUPAC name of 3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline (CID 65430275) is 3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline.
What is the SMILES notation for 3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline?
The canonical SMILES for 3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline is Nc1cc(F)cc(Br)c1OCCc1ccc2c(c1)CCO2.
What is the InChIKey of 3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline?
The InChIKey is FAOUDCSTVUTKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c17-13-8-12(18)9-14(19)16(13)21-5-3-10-1-2-15-11(7-10)4-6-20-15/h1-2,7-9H,3-6,19H2.
What are the key properties of 3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline?
3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline has a molecular weight of 352.20 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline is sourced from PubChem (CID 65430275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).