2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine

C12H11BrFNO — CID 79709295

IUPAC2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine
SMILESNC(Cc1cc(F)cc(Br)c1)c1ccoc1
InChIInChI=1S/C12H11BrFNO/c13-10-3-8(4-11(14)6-10)5-12(15)9-1-2-16-7-9/h1-4,6-7,12H,5,15H2
InChIKeyLFUDRFANXIILIO-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.42
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine

2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine (PubChem CID 79709295) has the molecular formula C12H11BrFNO and a molecular weight of 284.13 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine
PubChem CID79709295
Molecular FormulaC12H11BrFNO
Molecular Weight284.13 g/mol
Exact Mass283.00
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine
SMILESNC(Cc1cc(F)cc(Br)c1)c1ccoc1
InChIInChI=1S/C12H11BrFNO/c13-10-3-8(4-11(14)6-10)5-12(15)9-1-2-16-7-9/h1-4,6-7,12H,5,15H2
InChIKeyLFUDRFANXIILIO-UHFFFAOYSA-N
XLogP3.42
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-1-(furan-3-yl)ethanamine
CID 61078347
2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 105015396
2-(3-bromo-5-fluorophenyl)-1-naphthalen-2-ylethanamine
CID 79699816
2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015725
2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 79709215
1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine
CID 105030226
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 105015454
2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 105015570
2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine
CID 105015800
2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine
CID 79702482
2-(3-bromo-5-fluorophenyl)-1-isoquinolin-1-ylethanamine
CID 79700024
2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105030125

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine (CID 79709295) is 2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine is NC(Cc1cc(F)cc(Br)c1)c1ccoc1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine?
The InChIKey is LFUDRFANXIILIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO/c13-10-3-8(4-11(14)6-10)5-12(15)9-1-2-16-7-9/h1-4,6-7,12H,5,15H2.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine?
2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine has a molecular weight of 284.13 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine is sourced from PubChem (CID 79709295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).