2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-methyl-9H-pyrido[2,3-b]indol-7-amine

C18H22FN3O3 — CID 58160222

IUPAC2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-methyl-9H-pyrido[2,3-b]indol-7-amine
SMILESCNc1ccc2c(c1)[nH]c1nc(OCCOCCOCCF)ccc12
InChIInChI=1S/C18H22FN3O3/c1-20-13-2-3-14-15-4-5-17(22-18(15)21-16(14)12-13)25-11-10-24-9-8-23-7-6-19/h2-5,12,20H,6-11H2,1H3,(H,21,22)
InChIKeyYEJOYHZAERWNHA-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.14
Rot. Bonds10

About 2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-methyl-9H-pyrido[2,3-b]indol-7-amine

2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-methyl-9H-pyrido[2,3-b]indol-7-amine (PubChem CID 58160222) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-methyl-9H-pyrido[2,3-b]indol-7-amine.

Molecular Properties

Compound Name2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-methyl-9H-pyrido[2,3-b]indol-7-amine
PubChem CID58160222
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-methyl-9H-pyrido[2,3-b]indol-7-amine
SMILESCNc1ccc2c(c1)[nH]c1nc(OCCOCCOCCF)ccc12
InChIInChI=1S/C18H22FN3O3/c1-20-13-2-3-14-15-4-5-17(22-18(15)21-16(14)12-13)25-11-10-24-9-8-23-7-6-19/h2-5,12,20H,6-11H2,1H3,(H,21,22)
InChIKeyYEJOYHZAERWNHA-UHFFFAOYSA-N
XLogP3.14
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-methyl-9H-pyrido[2,3-b]indol-7-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 2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-methyl-9H-pyrido[2,3-b]indol-7-amine?
The IUPAC name of 2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-methyl-9H-pyrido[2,3-b]indol-7-amine (CID 58160222) is 2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-methyl-9H-pyrido[2,3-b]indol-7-amine.
What is the SMILES notation for 2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-methyl-9H-pyrido[2,3-b]indol-7-amine?
The canonical SMILES for 2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-methyl-9H-pyrido[2,3-b]indol-7-amine is CNc1ccc2c(c1)[nH]c1nc(OCCOCCOCCF)ccc12.
What is the InChIKey of 2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-methyl-9H-pyrido[2,3-b]indol-7-amine?
The InChIKey is YEJOYHZAERWNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-20-13-2-3-14-15-4-5-17(22-18(15)21-16(14)12-13)25-11-10-24-9-8-23-7-6-19/h2-5,12,20H,6-11H2,1H3,(H,21,22).
What are the key properties of 2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-methyl-9H-pyrido[2,3-b]indol-7-amine?
2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-methyl-9H-pyrido[2,3-b]indol-7-amine has a molecular weight of 347.39 g/mol, XLogP of 3.14, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-methyl-9H-pyrido[2,3-b]indol-7-amine is sourced from PubChem (CID 58160222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).