4-(3-fluorophenyl)-1-propan-2-ylpyrrol-3-amine

C13H15FN2 — CID 117223618

IUPAC4-(3-fluorophenyl)-1-propan-2-ylpyrrol-3-amine
SMILESCC(C)n1cc(N)c(-c2cccc(F)c2)c1
InChIInChI=1S/C13H15FN2/c1-9(2)16-7-12(13(15)8-16)10-4-3-5-11(14)6-10/h3-9H,15H2,1-2H3
InChIKeyKZSYBQLTJSPKDI-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.46
Rot. Bonds2

About 4-(3-fluorophenyl)-1-propan-2-ylpyrrol-3-amine

4-(3-fluorophenyl)-1-propan-2-ylpyrrol-3-amine (PubChem CID 117223618) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1-propan-2-ylpyrrol-3-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1-propan-2-ylpyrrol-3-amine
PubChem CID117223618
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name4-(3-fluorophenyl)-1-propan-2-ylpyrrol-3-amine
SMILESCC(C)n1cc(N)c(-c2cccc(F)c2)c1
InChIInChI=1S/C13H15FN2/c1-9(2)16-7-12(13(15)8-16)10-4-3-5-11(14)6-10/h3-9H,15H2,1-2H3
InChIKeyKZSYBQLTJSPKDI-UHFFFAOYSA-N
XLogP3.46
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-fluorophenyl)-1-propan-2-ylpyrrol-3-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 4-(3-fluorophenyl)-1-propan-2-ylpyrrol-3-amine?
The IUPAC name of 4-(3-fluorophenyl)-1-propan-2-ylpyrrol-3-amine (CID 117223618) is 4-(3-fluorophenyl)-1-propan-2-ylpyrrol-3-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-1-propan-2-ylpyrrol-3-amine?
The canonical SMILES for 4-(3-fluorophenyl)-1-propan-2-ylpyrrol-3-amine is CC(C)n1cc(N)c(-c2cccc(F)c2)c1.
What is the InChIKey of 4-(3-fluorophenyl)-1-propan-2-ylpyrrol-3-amine?
The InChIKey is KZSYBQLTJSPKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-9(2)16-7-12(13(15)8-16)10-4-3-5-11(14)6-10/h3-9H,15H2,1-2H3.
What are the key properties of 4-(3-fluorophenyl)-1-propan-2-ylpyrrol-3-amine?
4-(3-fluorophenyl)-1-propan-2-ylpyrrol-3-amine has a molecular weight of 218.28 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1-propan-2-ylpyrrol-3-amine is sourced from PubChem (CID 117223618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).