2-[2-(4-fluorophenoxy)ethyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C20H21FN2O — CID 10881882

IUPAC2-[2-(4-fluorophenoxy)ethyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCn1c2c(c3ccccc31)CN(CCOc1ccc(F)cc1)CC2
InChIInChI=1S/C20H21FN2O/c1-22-19-5-3-2-4-17(19)18-14-23(11-10-20(18)22)12-13-24-16-8-6-15(21)7-9-16/h2-9H,10-14H2,1H3
InChIKeyFMAIFDDMIAMMJK-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.75
Rot. Bonds4

About 2-[2-(4-fluorophenoxy)ethyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

2-[2-(4-fluorophenoxy)ethyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 10881882) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-[2-(4-fluorophenoxy)ethyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2-[2-(4-fluorophenoxy)ethyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID10881882
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name2-[2-(4-fluorophenoxy)ethyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCn1c2c(c3ccccc31)CN(CCOc1ccc(F)cc1)CC2
InChIInChI=1S/C20H21FN2O/c1-22-19-5-3-2-4-17(19)18-14-23(11-10-20(18)22)12-13-24-16-8-6-15(21)7-9-16/h2-9H,10-14H2,1H3
InChIKeyFMAIFDDMIAMMJK-UHFFFAOYSA-N
XLogP3.75
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-[2-(4-fluorophenoxy)ethyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole 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-[2-(4-fluorophenoxy)ethyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2-[2-(4-fluorophenoxy)ethyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 10881882) is 2-[2-(4-fluorophenoxy)ethyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2-[2-(4-fluorophenoxy)ethyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2-[2-(4-fluorophenoxy)ethyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is Cn1c2c(c3ccccc31)CN(CCOc1ccc(F)cc1)CC2.
What is the InChIKey of 2-[2-(4-fluorophenoxy)ethyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is FMAIFDDMIAMMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-22-19-5-3-2-4-17(19)18-14-23(11-10-20(18)22)12-13-24-16-8-6-15(21)7-9-16/h2-9H,10-14H2,1H3.
What are the key properties of 2-[2-(4-fluorophenoxy)ethyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
2-[2-(4-fluorophenoxy)ethyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 324.40 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenoxy)ethyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 10881882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).