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

C13H14BrNO2 — CID 114331426

IUPAC4-[[1-(5-bromofuran-2-yl)ethylamino]methyl]phenol
SMILESCC(NCc1ccc(O)cc1)c1ccc(Br)o1
InChIInChI=1S/C13H14BrNO2/c1-9(12-6-7-13(14)17-12)15-8-10-2-4-11(16)5-3-10/h2-7,9,15-16H,8H2,1H3
InChIKeyFRYPGVFRQFESQB-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.60
Rot. Bonds4

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

4-[[1-(5-bromofuran-2-yl)ethylamino]methyl]phenol (PubChem CID 114331426) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 4-[[1-(5-bromofuran-2-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[1-(5-bromofuran-2-yl)ethylamino]methyl]phenol
PubChem CID114331426
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name4-[[1-(5-bromofuran-2-yl)ethylamino]methyl]phenol
SMILESCC(NCc1ccc(O)cc1)c1ccc(Br)o1
InChIInChI=1S/C13H14BrNO2/c1-9(12-6-7-13(14)17-12)15-8-10-2-4-11(16)5-3-10/h2-7,9,15-16H,8H2,1H3
InChIKeyFRYPGVFRQFESQB-UHFFFAOYSA-N
XLogP3.60
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(5-bromofuran-2-yl)ethylamino]phenol
CID 104652665
N-[1-(5-bromofuran-2-yl)ethyl]-2-methylprop-2-en-1-amine
CID 114615383
1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 104652747
N-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 113437435
N-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine
CID 107094355
4-[[[(1R)-1-(3-bromophenyl)ethyl]amino]methyl]phenol
CID 81381238
N-[1-(5-bromofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 104651972
3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 104653257
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide
CID 107094033
4-[(1-hydroxypropan-2-ylamino)methyl]phenol
CID 43499774
4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol
CID 115688990

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-bromofuran-2-yl)ethylamino]methyl]phenol?
The IUPAC name of 4-[[1-(5-bromofuran-2-yl)ethylamino]methyl]phenol (CID 114331426) is 4-[[1-(5-bromofuran-2-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 4-[[1-(5-bromofuran-2-yl)ethylamino]methyl]phenol?
The canonical SMILES for 4-[[1-(5-bromofuran-2-yl)ethylamino]methyl]phenol is CC(NCc1ccc(O)cc1)c1ccc(Br)o1.
What is the InChIKey of 4-[[1-(5-bromofuran-2-yl)ethylamino]methyl]phenol?
The InChIKey is FRYPGVFRQFESQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c1-9(12-6-7-13(14)17-12)15-8-10-2-4-11(16)5-3-10/h2-7,9,15-16H,8H2,1H3.
What are the key properties of 4-[[1-(5-bromofuran-2-yl)ethylamino]methyl]phenol?
4-[[1-(5-bromofuran-2-yl)ethylamino]methyl]phenol has a molecular weight of 296.16 g/mol, XLogP of 3.60, 4 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]methyl]phenol is sourced from PubChem (CID 114331426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).