5-ethyl-4-fluoroisoquinolin-1-amine

C11H11FN2 — CID 163390204

IUPAC5-ethyl-4-fluoroisoquinolin-1-amine
SMILESCCc1cccc2c(N)ncc(F)c12
InChIInChI=1S/C11H11FN2/c1-2-7-4-3-5-8-10(7)9(12)6-14-11(8)13/h3-6H,2H2,1H3,(H2,13,14)
InChIKeyFOLGPUGGKOFKDT-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.52
Rot. Bonds1

About 5-ethyl-4-fluoroisoquinolin-1-amine

5-ethyl-4-fluoroisoquinolin-1-amine (PubChem CID 163390204) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 5-ethyl-4-fluoroisoquinolin-1-amine.

Molecular Properties

Compound Name5-ethyl-4-fluoroisoquinolin-1-amine
PubChem CID163390204
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name5-ethyl-4-fluoroisoquinolin-1-amine
SMILESCCc1cccc2c(N)ncc(F)c12
InChIInChI=1S/C11H11FN2/c1-2-7-4-3-5-8-10(7)9(12)6-14-11(8)13/h3-6H,2H2,1H3,(H2,13,14)
InChIKeyFOLGPUGGKOFKDT-UHFFFAOYSA-N
XLogP2.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-4-fluoroisoquinolin-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

Related Compounds

4-ethyl-5-(trifluoromethyl)isoquinolin-1-amine
CID 115063142
8-fluoro-4-propan-2-ylisoquinolin-1-amine
CID 115063353
3-ethyl-5-fluoropyridin-2-amine
CID 55284816
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine
CID 115063127
5-ethyl-2-fluoro-1-methylnaphthalene
CID 172577090
2,6-diethylaniline;propane
CID 174429495
2,6-diethylaniline;iron(2+)
CID 175873065
4-ethyl-5-fluoro-2H-isoquinolin-1-one
CID 115063173
1-ethyl-3-fluoro-2-methylbenzene
CID 18711825
5-ethyl-4-fluoropyridin-2-amine
CID 164886322
4,5-diethylquinoline
CID 154662761

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-fluoroisoquinolin-1-amine?
The IUPAC name of 5-ethyl-4-fluoroisoquinolin-1-amine (CID 163390204) is 5-ethyl-4-fluoroisoquinolin-1-amine.
What is the SMILES notation for 5-ethyl-4-fluoroisoquinolin-1-amine?
The canonical SMILES for 5-ethyl-4-fluoroisoquinolin-1-amine is CCc1cccc2c(N)ncc(F)c12.
What is the InChIKey of 5-ethyl-4-fluoroisoquinolin-1-amine?
The InChIKey is FOLGPUGGKOFKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c1-2-7-4-3-5-8-10(7)9(12)6-14-11(8)13/h3-6H,2H2,1H3,(H2,13,14).
What are the key properties of 5-ethyl-4-fluoroisoquinolin-1-amine?
5-ethyl-4-fluoroisoquinolin-1-amine has a molecular weight of 190.22 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-fluoroisoquinolin-1-amine is sourced from PubChem (CID 163390204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).