2-(5-fluoro-1-benzofuran-7-yl)ethanamine

C10H10FNO — CID 22144824

IUPAC2-(5-fluoro-1-benzofuran-7-yl)ethanamine
SMILESNCCc1cc(F)cc2ccoc12
InChIInChI=1S/C10H10FNO/c11-9-5-7(1-3-12)10-8(6-9)2-4-13-10/h2,4-6H,1,3,12H2
InChIKeyIEMVVDLDDDDVOT-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.07
Rot. Bonds2

About 2-(5-fluoro-1-benzofuran-7-yl)ethanamine

2-(5-fluoro-1-benzofuran-7-yl)ethanamine (PubChem CID 22144824) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 2-(5-fluoro-1-benzofuran-7-yl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-1-benzofuran-7-yl)ethanamine
PubChem CID22144824
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name2-(5-fluoro-1-benzofuran-7-yl)ethanamine
SMILESNCCc1cc(F)cc2ccoc12
InChIInChI=1S/C10H10FNO/c11-9-5-7(1-3-12)10-8(6-9)2-4-13-10/h2,4-6H,1,3,12H2
InChIKeyIEMVVDLDDDDVOT-UHFFFAOYSA-N
XLogP2.07
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-fluoro-1-benzofuran-7-yl)ethanamine 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 2-(5-fluoro-1-benzofuran-7-yl)ethanamine?
The IUPAC name of 2-(5-fluoro-1-benzofuran-7-yl)ethanamine (CID 22144824) is 2-(5-fluoro-1-benzofuran-7-yl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-1-benzofuran-7-yl)ethanamine?
The canonical SMILES for 2-(5-fluoro-1-benzofuran-7-yl)ethanamine is NCCc1cc(F)cc2ccoc12.
What is the InChIKey of 2-(5-fluoro-1-benzofuran-7-yl)ethanamine?
The InChIKey is IEMVVDLDDDDVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-9-5-7(1-3-12)10-8(6-9)2-4-13-10/h2,4-6H,1,3,12H2.
What are the key properties of 2-(5-fluoro-1-benzofuran-7-yl)ethanamine?
2-(5-fluoro-1-benzofuran-7-yl)ethanamine has a molecular weight of 179.19 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-benzofuran-7-yl)ethanamine is sourced from PubChem (CID 22144824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).