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

C16H14BrNO2 — CID 43742780

IUPAC4-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]phenol
SMILESCC(Nc1ccc(O)cc1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C16H14BrNO2/c1-10(18-13-3-5-14(19)6-4-13)16-9-11-8-12(17)2-7-15(11)20-16/h2-10,18-19H,1H3
InChIKeyTVQAOLFHIDWSDF-UHFFFAOYSA-N
MW332.20 g/mol
LogP5.07
Rot. Bonds3

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

4-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]phenol (PubChem CID 43742780) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 4-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]phenol.

Molecular Properties

Compound Name4-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]phenol
PubChem CID43742780
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name4-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]phenol
SMILESCC(Nc1ccc(O)cc1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C16H14BrNO2/c1-10(18-13-3-5-14(19)6-4-13)16-9-11-8-12(17)2-7-15(11)20-16/h2-10,18-19H,1H3
InChIKeyTVQAOLFHIDWSDF-UHFFFAOYSA-N
XLogP5.07
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.20
LogP ≤ 55.07
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-bromo-1-benzofuran-2-yl)ethyl]-4-fluoro-3-methylaniline
CID 63476843
1-(5-bromo-1-benzofuran-2-yl)ethanol
CID 11276522
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine
CID 43371885
2-bromo-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylaniline
CID 43098399
5-bromo-2-(1-bromoethyl)-1-benzofuran
CID 43141444
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]but-3-yn-2-amine
CID 114414981
3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol
CID 65036942
2-bromo-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]prop-2-en-1-amine
CID 113464991
2-[1-(methylamino)ethyl]-1-benzofuran-5-ol
CID 117195301
4-[1-(5-bromofuran-2-yl)ethylamino]phenol
CID 104652665
4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol
CID 82964843
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647657

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]phenol?
The IUPAC name of 4-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]phenol (CID 43742780) is 4-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]phenol.
What is the SMILES notation for 4-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]phenol?
The canonical SMILES for 4-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]phenol is CC(Nc1ccc(O)cc1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 4-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]phenol?
The InChIKey is TVQAOLFHIDWSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-10(18-13-3-5-14(19)6-4-13)16-9-11-8-12(17)2-7-15(11)20-16/h2-10,18-19H,1H3.
What are the key properties of 4-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]phenol?
4-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]phenol has a molecular weight of 332.20 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]phenol is sourced from PubChem (CID 43742780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).