1-ethyl-6-fluoro-3-[2-(2-phenylpropylamino)ethyl]indol-4-ol

C21H25FN2O — CID 50995988

IUPAC1-ethyl-6-fluoro-3-[2-(2-phenylpropylamino)ethyl]indol-4-ol
SMILESCCn1cc(CCNCC(C)c2ccccc2)c2c(O)cc(F)cc21
InChIInChI=1S/C21H25FN2O/c1-3-24-14-17(21-19(24)11-18(22)12-20(21)25)9-10-23-13-15(2)16-7-5-4-6-8-16/h4-8,11-12,14-15,23,25H,3,9-10,13H2,1-2H3
InChIKeyOGJJQMSUCIKCJJ-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.44
Rot. Bonds7

About 1-ethyl-6-fluoro-3-[2-(2-phenylpropylamino)ethyl]indol-4-ol

1-ethyl-6-fluoro-3-[2-(2-phenylpropylamino)ethyl]indol-4-ol (PubChem CID 50995988) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-3-[2-(2-phenylpropylamino)ethyl]indol-4-ol.

Molecular Properties

Compound Name1-ethyl-6-fluoro-3-[2-(2-phenylpropylamino)ethyl]indol-4-ol
PubChem CID50995988
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name1-ethyl-6-fluoro-3-[2-(2-phenylpropylamino)ethyl]indol-4-ol
SMILESCCn1cc(CCNCC(C)c2ccccc2)c2c(O)cc(F)cc21
InChIInChI=1S/C21H25FN2O/c1-3-24-14-17(21-19(24)11-18(22)12-20(21)25)9-10-23-13-15(2)16-7-5-4-6-8-16/h4-8,11-12,14-15,23,25H,3,9-10,13H2,1-2H3
InChIKeyOGJJQMSUCIKCJJ-UHFFFAOYSA-N
XLogP4.44
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-6-fluoro-3-[2-(2-phenylpropylamino)ethyl]indol-4-ol 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 1-ethyl-6-fluoro-3-[2-(2-phenylpropylamino)ethyl]indol-4-ol?
The IUPAC name of 1-ethyl-6-fluoro-3-[2-(2-phenylpropylamino)ethyl]indol-4-ol (CID 50995988) is 1-ethyl-6-fluoro-3-[2-(2-phenylpropylamino)ethyl]indol-4-ol.
What is the SMILES notation for 1-ethyl-6-fluoro-3-[2-(2-phenylpropylamino)ethyl]indol-4-ol?
The canonical SMILES for 1-ethyl-6-fluoro-3-[2-(2-phenylpropylamino)ethyl]indol-4-ol is CCn1cc(CCNCC(C)c2ccccc2)c2c(O)cc(F)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-3-[2-(2-phenylpropylamino)ethyl]indol-4-ol?
The InChIKey is OGJJQMSUCIKCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-3-24-14-17(21-19(24)11-18(22)12-20(21)25)9-10-23-13-15(2)16-7-5-4-6-8-16/h4-8,11-12,14-15,23,25H,3,9-10,13H2,1-2H3.
What are the key properties of 1-ethyl-6-fluoro-3-[2-(2-phenylpropylamino)ethyl]indol-4-ol?
1-ethyl-6-fluoro-3-[2-(2-phenylpropylamino)ethyl]indol-4-ol has a molecular weight of 340.44 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-3-[2-(2-phenylpropylamino)ethyl]indol-4-ol is sourced from PubChem (CID 50995988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).