4-[1-(5-bromofuran-2-yl)ethylamino]phenol

C12H12BrNO2 — CID 104652665

IUPAC4-[1-(5-bromofuran-2-yl)ethylamino]phenol
SMILESCC(Nc1ccc(O)cc1)c1ccc(Br)o1
InChIInChI=1S/C12H12BrNO2/c1-8(11-6-7-12(13)16-11)14-9-2-4-10(15)5-3-9/h2-8,14-15H,1H3
InChIKeyIPWAKOMNCORCOO-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.92
Rot. Bonds3

About 4-[1-(5-bromofuran-2-yl)ethylamino]phenol

4-[1-(5-bromofuran-2-yl)ethylamino]phenol (PubChem CID 104652665) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 4-[1-(5-bromofuran-2-yl)ethylamino]phenol.

Molecular Properties

Compound Name4-[1-(5-bromofuran-2-yl)ethylamino]phenol
PubChem CID104652665
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name4-[1-(5-bromofuran-2-yl)ethylamino]phenol
SMILESCC(Nc1ccc(O)cc1)c1ccc(Br)o1
InChIInChI=1S/C12H12BrNO2/c1-8(11-6-7-12(13)16-11)14-9-2-4-10(15)5-3-9/h2-8,14-15H,1H3
InChIKeyIPWAKOMNCORCOO-UHFFFAOYSA-N
XLogP3.92
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline
CID 104652071
N-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline
CID 113437452
4-[1-(5-bromofuran-2-yl)ethylamino]benzonitrile
CID 104652084
N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline
CID 104652692
4-[[1-(5-bromofuran-2-yl)ethylamino]methyl]phenol
CID 114331426
2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide
CID 104652472
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-4-methylaniline
CID 104651996
N-[1-(5-bromofuran-2-yl)ethyl]-4-cyclopentylsulfanylaniline
CID 104652562
N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline
CID 104653096
N-[1-(5-bromofuran-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)aniline
CID 104652755
5-[1-(5-bromofuran-2-yl)ethylamino]-2-chlorobenzamide
CID 104652478
4-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]phenol
CID 43742780

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-bromofuran-2-yl)ethylamino]phenol?
The IUPAC name of 4-[1-(5-bromofuran-2-yl)ethylamino]phenol (CID 104652665) is 4-[1-(5-bromofuran-2-yl)ethylamino]phenol.
What is the SMILES notation for 4-[1-(5-bromofuran-2-yl)ethylamino]phenol?
The canonical SMILES for 4-[1-(5-bromofuran-2-yl)ethylamino]phenol is CC(Nc1ccc(O)cc1)c1ccc(Br)o1.
What is the InChIKey of 4-[1-(5-bromofuran-2-yl)ethylamino]phenol?
The InChIKey is IPWAKOMNCORCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-8(11-6-7-12(13)16-11)14-9-2-4-10(15)5-3-9/h2-8,14-15H,1H3.
What are the key properties of 4-[1-(5-bromofuran-2-yl)ethylamino]phenol?
4-[1-(5-bromofuran-2-yl)ethylamino]phenol has a molecular weight of 282.14 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-bromofuran-2-yl)ethylamino]phenol is sourced from PubChem (CID 104652665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).