2-(dimethylamino)-1-(5-fluoroindol-1-yl)propan-1-one

C13H15FN2O — CID 162388704

IUPAC2-(dimethylamino)-1-(5-fluoroindol-1-yl)propan-1-one
SMILESCC(C(=O)n1ccc2cc(F)ccc21)N(C)C
InChIInChI=1S/C13H15FN2O/c1-9(15(2)3)13(17)16-7-6-10-8-11(14)4-5-12(10)16/h4-9H,1-3H3
InChIKeyWEVAKZJGWWINPF-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.37
Rot. Bonds2

About 2-(dimethylamino)-1-(5-fluoroindol-1-yl)propan-1-one

2-(dimethylamino)-1-(5-fluoroindol-1-yl)propan-1-one (PubChem CID 162388704) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(5-fluoroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-(5-fluoroindol-1-yl)propan-1-one
PubChem CID162388704
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name2-(dimethylamino)-1-(5-fluoroindol-1-yl)propan-1-one
SMILESCC(C(=O)n1ccc2cc(F)ccc21)N(C)C
InChIInChI=1S/C13H15FN2O/c1-9(15(2)3)13(17)16-7-6-10-8-11(14)4-5-12(10)16/h4-9H,1-3H3
InChIKeyWEVAKZJGWWINPF-UHFFFAOYSA-N
XLogP2.37
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(dimethylamino)-1-(5-fluoroindol-1-yl)propan-1-one 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-(dimethylamino)-1-(5-fluoroindol-1-yl)propan-1-one?
The IUPAC name of 2-(dimethylamino)-1-(5-fluoroindol-1-yl)propan-1-one (CID 162388704) is 2-(dimethylamino)-1-(5-fluoroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-(5-fluoroindol-1-yl)propan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-(5-fluoroindol-1-yl)propan-1-one is CC(C(=O)n1ccc2cc(F)ccc21)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(5-fluoroindol-1-yl)propan-1-one?
The InChIKey is WEVAKZJGWWINPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-9(15(2)3)13(17)16-7-6-10-8-11(14)4-5-12(10)16/h4-9H,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(5-fluoroindol-1-yl)propan-1-one?
2-(dimethylamino)-1-(5-fluoroindol-1-yl)propan-1-one has a molecular weight of 234.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(5-fluoroindol-1-yl)propan-1-one is sourced from PubChem (CID 162388704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).