1-[5-(2-bromophenyl)furan-2-yl]ethanamine

C12H12BrNO — CID 62500197

IUPAC1-[5-(2-bromophenyl)furan-2-yl]ethanamine
SMILESCC(N)c1ccc(-c2ccccc2Br)o1
InChIInChI=1S/C12H12BrNO/c1-8(14)11-6-7-12(15-11)9-4-2-3-5-10(9)13/h2-8H,14H2,1H3
InChIKeyQBZXFNJDGJCAPC-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.73
Rot. Bonds2

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

1-[5-(2-bromophenyl)furan-2-yl]ethanamine (PubChem CID 62500197) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-[5-(2-bromophenyl)furan-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2-bromophenyl)furan-2-yl]ethanamine
PubChem CID62500197
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name1-[5-(2-bromophenyl)furan-2-yl]ethanamine
SMILESCC(N)c1ccc(-c2ccccc2Br)o1
InChIInChI=1S/C12H12BrNO/c1-8(14)11-6-7-12(15-11)9-4-2-3-5-10(9)13/h2-8H,14H2,1H3
InChIKeyQBZXFNJDGJCAPC-UHFFFAOYSA-N
XLogP3.73
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromophenyl)furan-2-yl]ethanamine?
The IUPAC name of 1-[5-(2-bromophenyl)furan-2-yl]ethanamine (CID 62500197) is 1-[5-(2-bromophenyl)furan-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(2-bromophenyl)furan-2-yl]ethanamine?
The canonical SMILES for 1-[5-(2-bromophenyl)furan-2-yl]ethanamine is CC(N)c1ccc(-c2ccccc2Br)o1.
What is the InChIKey of 1-[5-(2-bromophenyl)furan-2-yl]ethanamine?
The InChIKey is QBZXFNJDGJCAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-8(14)11-6-7-12(15-11)9-4-2-3-5-10(9)13/h2-8H,14H2,1H3.
What are the key properties of 1-[5-(2-bromophenyl)furan-2-yl]ethanamine?
1-[5-(2-bromophenyl)furan-2-yl]ethanamine has a molecular weight of 266.14 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromophenyl)furan-2-yl]ethanamine is sourced from PubChem (CID 62500197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).