N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-fluorophenyl)ethanamine

C13H12Br2FNO — CID 62083622

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NCc1cc(Br)c(Br)o1)c1ccccc1F
InChIInChI=1S/C13H12Br2FNO/c1-8(10-4-2-3-5-12(10)16)17-7-9-6-11(14)13(15)18-9/h2-6,8,17H,7H2,1H3
InChIKeyJQAOBFOVPAQWMK-UHFFFAOYSA-N
MW377.05 g/mol
LogP4.79
Rot. Bonds4

About N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-fluorophenyl)ethanamine

N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-fluorophenyl)ethanamine (PubChem CID 62083622) has the molecular formula C13H12Br2FNO and a molecular weight of 377.05 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-1-(2-fluorophenyl)ethanamine
PubChem CID62083622
Molecular FormulaC13H12Br2FNO
Molecular Weight377.05 g/mol
Exact Mass374.93
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NCc1cc(Br)c(Br)o1)c1ccccc1F
InChIInChI=1S/C13H12Br2FNO/c1-8(10-4-2-3-5-12(10)16)17-7-9-6-11(14)13(15)18-9/h2-6,8,17H,7H2,1H3
InChIKeyJQAOBFOVPAQWMK-UHFFFAOYSA-N
XLogP4.79
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.05
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380511
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380519
N-[(2-bromo-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 115556557
N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659010
N-[(4,5-dibromofuran-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 62084292
2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol
CID 55025832
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
N-[(4,5-dibromofuran-2-yl)methyl]-4-phenylbutan-2-amine
CID 62084806
1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051050
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60658981
N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 63646240
N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 62084477

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-fluorophenyl)ethanamine (CID 62083622) is N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-fluorophenyl)ethanamine is CC(NCc1cc(Br)c(Br)o1)c1ccccc1F.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-fluorophenyl)ethanamine?
The InChIKey is JQAOBFOVPAQWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2FNO/c1-8(10-4-2-3-5-12(10)16)17-7-9-6-11(14)13(15)18-9/h2-6,8,17H,7H2,1H3.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-fluorophenyl)ethanamine?
N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-fluorophenyl)ethanamine has a molecular weight of 377.05 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 62083622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).