2-[1-(2-fluorophenyl)imidazol-4-yl]propan-1-amine

C12H14FN3 — CID 83888814

IUPAC2-[1-(2-fluorophenyl)imidazol-4-yl]propan-1-amine
SMILESCC(CN)c1cn(-c2ccccc2F)cn1
InChIInChI=1S/C12H14FN3/c1-9(6-14)11-7-16(8-15-11)12-5-3-2-4-10(12)13/h2-5,7-9H,6,14H2,1H3
InChIKeyPGQFNJPCQWAJSS-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.07
Rot. Bonds3

About 2-[1-(2-fluorophenyl)imidazol-4-yl]propan-1-amine

2-[1-(2-fluorophenyl)imidazol-4-yl]propan-1-amine (PubChem CID 83888814) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)imidazol-4-yl]propan-1-amine
PubChem CID83888814
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name2-[1-(2-fluorophenyl)imidazol-4-yl]propan-1-amine
SMILESCC(CN)c1cn(-c2ccccc2F)cn1
InChIInChI=1S/C12H14FN3/c1-9(6-14)11-7-16(8-15-11)12-5-3-2-4-10(12)13/h2-5,7-9H,6,14H2,1H3
InChIKeyPGQFNJPCQWAJSS-UHFFFAOYSA-N
XLogP2.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2-fluorophenyl)imidazol-4-yl]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 2-[1-(2-fluorophenyl)imidazol-4-yl]propan-1-amine?
The IUPAC name of 2-[1-(2-fluorophenyl)imidazol-4-yl]propan-1-amine (CID 83888814) is 2-[1-(2-fluorophenyl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-[1-(2-fluorophenyl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for 2-[1-(2-fluorophenyl)imidazol-4-yl]propan-1-amine is CC(CN)c1cn(-c2ccccc2F)cn1.
What is the InChIKey of 2-[1-(2-fluorophenyl)imidazol-4-yl]propan-1-amine?
The InChIKey is PGQFNJPCQWAJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-9(6-14)11-7-16(8-15-11)12-5-3-2-4-10(12)13/h2-5,7-9H,6,14H2,1H3.
What are the key properties of 2-[1-(2-fluorophenyl)imidazol-4-yl]propan-1-amine?
2-[1-(2-fluorophenyl)imidazol-4-yl]propan-1-amine has a molecular weight of 219.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 83888814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).