3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one

C14H20FN3O — CID 43255106

IUPAC3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one
SMILESCCN(CC)CCN1C(=O)C(N)c2ccc(F)cc21
InChIInChI=1S/C14H20FN3O/c1-3-17(4-2)7-8-18-12-9-10(15)5-6-11(12)13(16)14(18)19/h5-6,9,13H,3-4,7-8,16H2,1-2H3
InChIKeyYPZYMXCYHKXTBM-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.51
Rot. Bonds5

About 3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one

3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one (PubChem CID 43255106) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one
PubChem CID43255106
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one
SMILESCCN(CC)CCN1C(=O)C(N)c2ccc(F)cc21
InChIInChI=1S/C14H20FN3O/c1-3-17(4-2)7-8-18-12-9-10(15)5-6-11(12)13(16)14(18)19/h5-6,9,13H,3-4,7-8,16H2,1-2H3
InChIKeyYPZYMXCYHKXTBM-UHFFFAOYSA-N
XLogP1.51
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-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 3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one?
The IUPAC name of 3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one (CID 43255106) is 3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one.
What is the SMILES notation for 3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one?
The canonical SMILES for 3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one is CCN(CC)CCN1C(=O)C(N)c2ccc(F)cc21.
What is the InChIKey of 3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one?
The InChIKey is YPZYMXCYHKXTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-3-17(4-2)7-8-18-12-9-10(15)5-6-11(12)13(16)14(18)19/h5-6,9,13H,3-4,7-8,16H2,1-2H3.
What are the key properties of 3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one?
3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one has a molecular weight of 265.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one is sourced from PubChem (CID 43255106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).