1-[5-(2-bromophenyl)furan-2-yl]propan-2-amine

C13H14BrNO — CID 63084768

IUPAC1-[5-(2-bromophenyl)furan-2-yl]propan-2-amine
SMILESCC(N)Cc1ccc(-c2ccccc2Br)o1
InChIInChI=1S/C13H14BrNO/c1-9(15)8-10-6-7-13(16-10)11-4-2-3-5-12(11)14/h2-7,9H,8,15H2,1H3
InChIKeyWNLBENCPCBQWIJ-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.60
Rot. Bonds3

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

1-[5-(2-bromophenyl)furan-2-yl]propan-2-amine (PubChem CID 63084768) has the molecular formula C13H14BrNO and a molecular weight of 280.17 g/mol. Its IUPAC name is 1-[5-(2-bromophenyl)furan-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(2-bromophenyl)furan-2-yl]propan-2-amine
PubChem CID63084768
Molecular FormulaC13H14BrNO
Molecular Weight280.17 g/mol
Exact Mass279.03
IUPAC Name1-[5-(2-bromophenyl)furan-2-yl]propan-2-amine
SMILESCC(N)Cc1ccc(-c2ccccc2Br)o1
InChIInChI=1S/C13H14BrNO/c1-9(15)8-10-6-7-13(16-10)11-4-2-3-5-12(11)14/h2-7,9H,8,15H2,1H3
InChIKeyWNLBENCPCBQWIJ-UHFFFAOYSA-N
XLogP3.60
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.60
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]propan-2-amine?
The IUPAC name of 1-[5-(2-bromophenyl)furan-2-yl]propan-2-amine (CID 63084768) is 1-[5-(2-bromophenyl)furan-2-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(2-bromophenyl)furan-2-yl]propan-2-amine?
The canonical SMILES for 1-[5-(2-bromophenyl)furan-2-yl]propan-2-amine is CC(N)Cc1ccc(-c2ccccc2Br)o1.
What is the InChIKey of 1-[5-(2-bromophenyl)furan-2-yl]propan-2-amine?
The InChIKey is WNLBENCPCBQWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-9(15)8-10-6-7-13(16-10)11-4-2-3-5-12(11)14/h2-7,9H,8,15H2,1H3.
What are the key properties of 1-[5-(2-bromophenyl)furan-2-yl]propan-2-amine?
1-[5-(2-bromophenyl)furan-2-yl]propan-2-amine has a molecular weight of 280.17 g/mol, XLogP of 3.60, 3 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]propan-2-amine is sourced from PubChem (CID 63084768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).