2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol

C14H16BrNO3 — CID 43400285

IUPAC2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol
SMILESCOc1cc(CNC(C)c2ccco2)cc(Br)c1O
InChIInChI=1S/C14H16BrNO3/c1-9(12-4-3-5-19-12)16-8-10-6-11(15)14(17)13(7-10)18-2/h3-7,9,16-17H,8H2,1-2H3
InChIKeyHCJCDHLTWAYHKU-UHFFFAOYSA-N
MW326.19 g/mol
LogP3.61
Rot. Bonds5

About 2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol

2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol (PubChem CID 43400285) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is 2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol
PubChem CID43400285
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol
SMILESCOc1cc(CNC(C)c2ccco2)cc(Br)c1O
InChIInChI=1S/C14H16BrNO3/c1-9(12-4-3-5-19-12)16-8-10-6-11(15)14(17)13(7-10)18-2/h3-7,9,16-17H,8H2,1-2H3
InChIKeyHCJCDHLTWAYHKU-UHFFFAOYSA-N
XLogP3.61
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol
CID 81402939
(1S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403898
2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol
CID 43081085
N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 115692983
(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81402590
(1R)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81400902
(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402570
N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43400255
(1R)-N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81403651
2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol
CID 81403520
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43400031
2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 7154257

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol (CID 43400285) is 2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol is COc1cc(CNC(C)c2ccco2)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol?
The InChIKey is HCJCDHLTWAYHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3/c1-9(12-4-3-5-19-12)16-8-10-6-11(15)14(17)13(7-10)18-2/h3-7,9,16-17H,8H2,1-2H3.
What are the key properties of 2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol?
2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol has a molecular weight of 326.19 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol is sourced from PubChem (CID 43400285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).