2-[4-[(3-bromofuran-2-yl)methylamino]phenyl]ethanol

C13H14BrNO2 — CID 113253732

IUPAC2-[4-[(3-bromofuran-2-yl)methylamino]phenyl]ethanol
SMILESOCCc1ccc(NCc2occc2Br)cc1
InChIInChI=1S/C13H14BrNO2/c14-12-6-8-17-13(12)9-15-11-3-1-10(2-4-11)5-7-16/h1-4,6,8,15-16H,5,7,9H2
InChIKeyGTPAAUCCFYXOLV-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.19
Rot. Bonds5

About 2-[4-[(3-bromofuran-2-yl)methylamino]phenyl]ethanol

2-[4-[(3-bromofuran-2-yl)methylamino]phenyl]ethanol (PubChem CID 113253732) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 2-[4-[(3-bromofuran-2-yl)methylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-bromofuran-2-yl)methylamino]phenyl]ethanol
PubChem CID113253732
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name2-[4-[(3-bromofuran-2-yl)methylamino]phenyl]ethanol
SMILESOCCc1ccc(NCc2occc2Br)cc1
InChIInChI=1S/C13H14BrNO2/c14-12-6-8-17-13(12)9-15-11-3-1-10(2-4-11)5-7-16/h1-4,6,8,15-16H,5,7,9H2
InChIKeyGTPAAUCCFYXOLV-UHFFFAOYSA-N
XLogP3.19
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(3-bromofuran-2-yl)methylamino]phenyl]ethanol 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-[(3-bromofuran-2-yl)methylamino]phenol
CID 102809769
2-(3-bromofuran-2-yl)ethanol
CID 63943836
N-[(3-bromofuran-2-yl)methyl]-4-methylsulfanylaniline
CID 103817834
2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol
CID 61238413
2-[4-[(2-bromophenyl)methylamino]phenyl]ethanol
CID 61236412
4-[(3-bromofuran-2-yl)methylamino]-2-methylphenol
CID 106885444
2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol
CID 81002416
N-[(3-bromofuran-2-yl)methyl]-6-fluoropyridin-3-amine
CID 103946824
propyl 4-[(3-bromofuran-2-yl)methylamino]benzoate
CID 106885105
N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline
CID 106885213
5-[4-[(3-bromofuran-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one
CID 106885183
[2-[(3-bromofuran-2-yl)methylamino]phenyl]methanol
CID 103818101

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-bromofuran-2-yl)methylamino]phenyl]ethanol?
The IUPAC name of 2-[4-[(3-bromofuran-2-yl)methylamino]phenyl]ethanol (CID 113253732) is 2-[4-[(3-bromofuran-2-yl)methylamino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(3-bromofuran-2-yl)methylamino]phenyl]ethanol?
The canonical SMILES for 2-[4-[(3-bromofuran-2-yl)methylamino]phenyl]ethanol is OCCc1ccc(NCc2occc2Br)cc1.
What is the InChIKey of 2-[4-[(3-bromofuran-2-yl)methylamino]phenyl]ethanol?
The InChIKey is GTPAAUCCFYXOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c14-12-6-8-17-13(12)9-15-11-3-1-10(2-4-11)5-7-16/h1-4,6,8,15-16H,5,7,9H2.
What are the key properties of 2-[4-[(3-bromofuran-2-yl)methylamino]phenyl]ethanol?
2-[4-[(3-bromofuran-2-yl)methylamino]phenyl]ethanol has a molecular weight of 296.16 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-bromofuran-2-yl)methylamino]phenyl]ethanol is sourced from PubChem (CID 113253732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).