2,6-dibromo-4-[(furan-3-ylmethylamino)methyl]phenol

C12H11Br2NO2 — CID 113224538

IUPAC2,6-dibromo-4-[(furan-3-ylmethylamino)methyl]phenol
SMILESOc1c(Br)cc(CNCc2ccoc2)cc1Br
InChIInChI=1S/C12H11Br2NO2/c13-10-3-9(4-11(14)12(10)16)6-15-5-8-1-2-17-7-8/h1-4,7,15-16H,5-6H2
InChIKeyRAQJDXZQMXONTB-UHFFFAOYSA-N
MW361.03 g/mol
LogP3.80
Rot. Bonds4

About 2,6-dibromo-4-[(furan-3-ylmethylamino)methyl]phenol

2,6-dibromo-4-[(furan-3-ylmethylamino)methyl]phenol (PubChem CID 113224538) has the molecular formula C12H11Br2NO2 and a molecular weight of 361.03 g/mol. Its IUPAC name is 2,6-dibromo-4-[(furan-3-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(furan-3-ylmethylamino)methyl]phenol
PubChem CID113224538
Molecular FormulaC12H11Br2NO2
Molecular Weight361.03 g/mol
Exact Mass358.92
IUPAC Name2,6-dibromo-4-[(furan-3-ylmethylamino)methyl]phenol
SMILESOc1c(Br)cc(CNCc2ccoc2)cc1Br
InChIInChI=1S/C12H11Br2NO2/c13-10-3-9(4-11(14)12(10)16)6-15-5-8-1-2-17-7-8/h1-4,7,15-16H,5-6H2
InChIKeyRAQJDXZQMXONTB-UHFFFAOYSA-N
XLogP3.80
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.03
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
CID 107740485
2,6-dibromo-4-[[(2-hydroxyphenyl)methylamino]methyl]phenol
CID 107741111
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-(furan-3-yl)methanamine
CID 113224545
2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol
CID 115627586
N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
CID 60980930
6-[(furan-3-ylmethylamino)methyl]-1,3-benzodioxol-5-ol
CID 113229742
2-(furan-3-ylmethylamino)acetic acid
CID 63204531
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-N-methylacetamide
CID 103602849
4-chloro-2-[(furan-3-ylmethylamino)methyl]-6-methoxyphenol
CID 113436734
4-[(furan-3-ylmethylamino)methyl]benzamide
CID 47272463

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(furan-3-ylmethylamino)methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(furan-3-ylmethylamino)methyl]phenol (CID 113224538) is 2,6-dibromo-4-[(furan-3-ylmethylamino)methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(furan-3-ylmethylamino)methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(furan-3-ylmethylamino)methyl]phenol is Oc1c(Br)cc(CNCc2ccoc2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[(furan-3-ylmethylamino)methyl]phenol?
The InChIKey is RAQJDXZQMXONTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NO2/c13-10-3-9(4-11(14)12(10)16)6-15-5-8-1-2-17-7-8/h1-4,7,15-16H,5-6H2.
What are the key properties of 2,6-dibromo-4-[(furan-3-ylmethylamino)methyl]phenol?
2,6-dibromo-4-[(furan-3-ylmethylamino)methyl]phenol has a molecular weight of 361.03 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(furan-3-ylmethylamino)methyl]phenol is sourced from PubChem (CID 113224538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).