N-[(4,5-dibromofuran-2-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine

C13H11Br2F2NO2 — CID 62084106

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine
SMILESFC(F)Oc1ccccc1CNCc1cc(Br)c(Br)o1
InChIInChI=1S/C13H11Br2F2NO2/c14-10-5-9(19-12(10)15)7-18-6-8-3-1-2-4-11(8)20-13(16)17/h1-5,13,18H,6-7H2
InChIKeyKOHGRXJAXSBABC-UHFFFAOYSA-N
MW411.04 g/mol
LogP4.70
Rot. Bonds6

About N-[(4,5-dibromofuran-2-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine

N-[(4,5-dibromofuran-2-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine (PubChem CID 62084106) has the molecular formula C13H11Br2F2NO2 and a molecular weight of 411.04 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine
PubChem CID62084106
Molecular FormulaC13H11Br2F2NO2
Molecular Weight411.04 g/mol
Exact Mass408.91
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine
SMILESFC(F)Oc1ccccc1CNCc1cc(Br)c(Br)o1
InChIInChI=1S/C13H11Br2F2NO2/c14-10-5-9(19-12(10)15)7-18-6-8-3-1-2-4-11(8)20-13(16)17/h1-5,13,18H,6-7H2
InChIKeyKOHGRXJAXSBABC-UHFFFAOYSA-N
XLogP4.70
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.04
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 115595287
1-[2-(difluoromethoxy)phenyl]-N-[(5-nitrofuran-2-yl)methyl]methanamine
CID 43768592
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline
CID 107609590
N-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine
CID 115406141
1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
CID 60711287
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345
1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 29051450
3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-4-(difluoromethoxy)aniline
CID 63420324
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
4-chloro-2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]phenol
CID 29292740
1-(3-chloro-4-fluorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 62537424
2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea
CID 83109474

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine (CID 62084106) is N-[(4,5-dibromofuran-2-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine is FC(F)Oc1ccccc1CNCc1cc(Br)c(Br)o1.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine?
The InChIKey is KOHGRXJAXSBABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2F2NO2/c14-10-5-9(19-12(10)15)7-18-6-8-3-1-2-4-11(8)20-13(16)17/h1-5,13,18H,6-7H2.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine?
N-[(4,5-dibromofuran-2-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine has a molecular weight of 411.04 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 62084106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).