4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylbutan-1-amine

C20H22ClFN2 — CID 10497675

IUPAC4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C20H22ClFN2/c1-23(2)12-4-3-5-15-14-24(18-9-7-17(22)8-10-18)20-11-6-16(21)13-19(15)20/h6-11,13-14H,3-5,12H2,1-2H3
InChIKeyGNJLTBRLYYQCLP-UHFFFAOYSA-N
MW344.86 g/mol
LogP5.31
Rot. Bonds6

About 4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylbutan-1-amine

4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylbutan-1-amine (PubChem CID 10497675) has the molecular formula C20H22ClFN2 and a molecular weight of 344.86 g/mol. Its IUPAC name is 4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylbutan-1-amine
PubChem CID10497675
Molecular FormulaC20H22ClFN2
Molecular Weight344.86 g/mol
Exact Mass344.15
IUPAC Name4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C20H22ClFN2/c1-23(2)12-4-3-5-15-14-24(18-9-7-17(22)8-10-18)20-11-6-16(21)13-19(15)20/h6-11,13-14H,3-5,12H2,1-2H3
InChIKeyGNJLTBRLYYQCLP-UHFFFAOYSA-N
XLogP5.31
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.86
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylbutan-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 4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylbutan-1-amine (CID 10497675) is 4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylbutan-1-amine is CN(C)CCCCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylbutan-1-amine?
The InChIKey is GNJLTBRLYYQCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2/c1-23(2)12-4-3-5-15-14-24(18-9-7-17(22)8-10-18)20-11-6-16(21)13-19(15)20/h6-11,13-14H,3-5,12H2,1-2H3.
What are the key properties of 4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylbutan-1-amine?
4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylbutan-1-amine has a molecular weight of 344.86 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 10497675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).