1-[3-(3-bromofuran-2-yl)phenyl]propan-1-amine

C13H14BrNO — CID 63949010

IUPAC1-[3-(3-bromofuran-2-yl)phenyl]propan-1-amine
SMILESCCC(N)c1cccc(-c2occc2Br)c1
InChIInChI=1S/C13H14BrNO/c1-2-12(15)9-4-3-5-10(8-9)13-11(14)6-7-16-13/h3-8,12H,2,15H2,1H3
InChIKeyWGZBHBYIBMZWKE-UHFFFAOYSA-N
MW280.16 g/mol
LogP4.12
Rot. Bonds3

About 1-[3-(3-bromofuran-2-yl)phenyl]propan-1-amine

1-[3-(3-bromofuran-2-yl)phenyl]propan-1-amine (PubChem CID 63949010) has the molecular formula C13H14BrNO and a molecular weight of 280.16 g/mol. Its IUPAC name is 1-[3-(3-bromofuran-2-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(3-bromofuran-2-yl)phenyl]propan-1-amine
PubChem CID63949010
Molecular FormulaC13H14BrNO
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC Name1-[3-(3-bromofuran-2-yl)phenyl]propan-1-amine
SMILESCCC(N)c1cccc(-c2occc2Br)c1
InChIInChI=1S/C13H14BrNO/c1-2-12(15)9-4-3-5-10(8-9)13-11(14)6-7-16-13/h3-8,12H,2,15H2,1H3
InChIKeyWGZBHBYIBMZWKE-UHFFFAOYSA-N
XLogP4.12
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(3-bromofuran-2-yl)phenyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromofuran-2-yl)phenyl]propan-1-amine?
The IUPAC name of 1-[3-(3-bromofuran-2-yl)phenyl]propan-1-amine (CID 63949010) is 1-[3-(3-bromofuran-2-yl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[3-(3-bromofuran-2-yl)phenyl]propan-1-amine?
The canonical SMILES for 1-[3-(3-bromofuran-2-yl)phenyl]propan-1-amine is CCC(N)c1cccc(-c2occc2Br)c1.
What is the InChIKey of 1-[3-(3-bromofuran-2-yl)phenyl]propan-1-amine?
The InChIKey is WGZBHBYIBMZWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-2-12(15)9-4-3-5-10(8-9)13-11(14)6-7-16-13/h3-8,12H,2,15H2,1H3.
What are the key properties of 1-[3-(3-bromofuran-2-yl)phenyl]propan-1-amine?
1-[3-(3-bromofuran-2-yl)phenyl]propan-1-amine has a molecular weight of 280.16 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromofuran-2-yl)phenyl]propan-1-amine is sourced from PubChem (CID 63949010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).