2-[1-(2-fluoroethyl)imidazol-4-yl]ethanamine

C7H12FN3 — CID 57466823

IUPAC2-[1-(2-fluoroethyl)imidazol-4-yl]ethanamine
SMILESNCCc1cn(CCF)cn1
InChIInChI=1S/C7H12FN3/c8-2-4-11-5-7(1-3-9)10-6-11/h5-6H,1-4,9H2
InChIKeyAXUKRJKCUYVBID-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.35
Rot. Bonds4

About 2-[1-(2-fluoroethyl)imidazol-4-yl]ethanamine

2-[1-(2-fluoroethyl)imidazol-4-yl]ethanamine (PubChem CID 57466823) has the molecular formula C7H12FN3 and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-[1-(2-fluoroethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-fluoroethyl)imidazol-4-yl]ethanamine
PubChem CID57466823
Molecular FormulaC7H12FN3
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name2-[1-(2-fluoroethyl)imidazol-4-yl]ethanamine
SMILESNCCc1cn(CCF)cn1
InChIInChI=1S/C7H12FN3/c8-2-4-11-5-7(1-3-9)10-6-11/h5-6H,1-4,9H2
InChIKeyAXUKRJKCUYVBID-UHFFFAOYSA-N
XLogP0.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2-fluoroethyl)imidazol-4-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-[1-(2-fluoroethyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(2-fluoroethyl)imidazol-4-yl]ethanamine (CID 57466823) is 2-[1-(2-fluoroethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-fluoroethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(2-fluoroethyl)imidazol-4-yl]ethanamine is NCCc1cn(CCF)cn1.
What is the InChIKey of 2-[1-(2-fluoroethyl)imidazol-4-yl]ethanamine?
The InChIKey is AXUKRJKCUYVBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3/c8-2-4-11-5-7(1-3-9)10-6-11/h5-6H,1-4,9H2.
What are the key properties of 2-[1-(2-fluoroethyl)imidazol-4-yl]ethanamine?
2-[1-(2-fluoroethyl)imidazol-4-yl]ethanamine has a molecular weight of 157.19 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoroethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 57466823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).