1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]ethanamine

C12H11BrFNO — CID 107626813

IUPAC1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]ethanamine
SMILESCC(N)c1ccc(-c2cc(F)ccc2Br)o1
InChIInChI=1S/C12H11BrFNO/c1-7(15)11-4-5-12(16-11)9-6-8(14)2-3-10(9)13/h2-7H,15H2,1H3
InChIKeyOYVYHZQYJGHWNP-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.87
Rot. Bonds2

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

1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]ethanamine (PubChem CID 107626813) has the molecular formula C12H11BrFNO and a molecular weight of 284.13 g/mol. Its IUPAC name is 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]ethanamine
PubChem CID107626813
Molecular FormulaC12H11BrFNO
Molecular Weight284.13 g/mol
Exact Mass283.00
IUPAC Name1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]ethanamine
SMILESCC(N)c1ccc(-c2cc(F)ccc2Br)o1
InChIInChI=1S/C12H11BrFNO/c1-7(15)11-4-5-12(16-11)9-6-8(14)2-3-10(9)13/h2-7H,15H2,1H3
InChIKeyOYVYHZQYJGHWNP-UHFFFAOYSA-N
XLogP3.87
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-chloro-5-fluorophenyl)furan-2-yl]ethanamine
CID 107530721
1-[5-(2-bromophenyl)furan-2-yl]ethanamine
CID 62500197
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol
CID 107627214
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 107626833
1-[5-(3-fluorophenyl)furan-2-yl]ethanamine
CID 62498738
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107626829
1-(2-bromo-5-fluorophenyl)ethanamine
CID 83350018
1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]ethanamine
CID 79049528
5-(2-bromo-5-fluorophenyl)-2-methyl-1,3-oxazole
CID 166610249
1-[5-(2-chloro-4-methylphenyl)furan-2-yl]ethanamine
CID 62498412
N-[[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181456
N-[1-[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183077

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]ethanamine?
The IUPAC name of 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]ethanamine (CID 107626813) is 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]ethanamine?
The canonical SMILES for 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]ethanamine is CC(N)c1ccc(-c2cc(F)ccc2Br)o1.
What is the InChIKey of 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]ethanamine?
The InChIKey is OYVYHZQYJGHWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO/c1-7(15)11-4-5-12(16-11)9-6-8(14)2-3-10(9)13/h2-7H,15H2,1H3.
What are the key properties of 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]ethanamine?
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]ethanamine has a molecular weight of 284.13 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]ethanamine is sourced from PubChem (CID 107626813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).