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

C12H12BrNO — CID 170869026

IUPAC2-[5-(2-bromophenyl)furan-2-yl]ethanamine
SMILESNCCc1ccc(-c2ccccc2Br)o1
InChIInChI=1S/C12H12BrNO/c13-11-4-2-1-3-10(11)12-6-5-9(15-12)7-8-14/h1-6H,7-8,14H2
InChIKeyDKOHBDLSGMAHSS-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.21
Rot. Bonds3

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

2-[5-(2-bromophenyl)furan-2-yl]ethanamine (PubChem CID 170869026) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-[5-(2-bromophenyl)furan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-bromophenyl)furan-2-yl]ethanamine
PubChem CID170869026
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name2-[5-(2-bromophenyl)furan-2-yl]ethanamine
SMILESNCCc1ccc(-c2ccccc2Br)o1
InChIInChI=1S/C12H12BrNO/c13-11-4-2-1-3-10(11)12-6-5-9(15-12)7-8-14/h1-6H,7-8,14H2
InChIKeyDKOHBDLSGMAHSS-UHFFFAOYSA-N
XLogP3.21
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-bromophenyl)furan-2-yl]ethanamine?
The IUPAC name of 2-[5-(2-bromophenyl)furan-2-yl]ethanamine (CID 170869026) is 2-[5-(2-bromophenyl)furan-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-bromophenyl)furan-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2-bromophenyl)furan-2-yl]ethanamine is NCCc1ccc(-c2ccccc2Br)o1.
What is the InChIKey of 2-[5-(2-bromophenyl)furan-2-yl]ethanamine?
The InChIKey is DKOHBDLSGMAHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c13-11-4-2-1-3-10(11)12-6-5-9(15-12)7-8-14/h1-6H,7-8,14H2.
What are the key properties of 2-[5-(2-bromophenyl)furan-2-yl]ethanamine?
2-[5-(2-bromophenyl)furan-2-yl]ethanamine has a molecular weight of 266.14 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-bromophenyl)furan-2-yl]ethanamine is sourced from PubChem (CID 170869026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).