4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethyl]-N-methylaniline

C20H27FN2O3 — CID 171916811

IUPAC4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethyl]-N-methylaniline
SMILESCNc1ccc(CCc2ccc(OCCOCCOCCF)nc2)cc1
InChIInChI=1S/C20H27FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h4-9,16,22H,2-3,10-15H2,1H3
InChIKeyMEMFJEKYDDUGHS-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.29
Rot. Bonds13

About 4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethyl]-N-methylaniline

4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethyl]-N-methylaniline (PubChem CID 171916811) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethyl]-N-methylaniline.

Molecular Properties

Compound Name4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethyl]-N-methylaniline
PubChem CID171916811
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC Name4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethyl]-N-methylaniline
SMILESCNc1ccc(CCc2ccc(OCCOCCOCCF)nc2)cc1
InChIInChI=1S/C20H27FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h4-9,16,22H,2-3,10-15H2,1H3
InChIKeyMEMFJEKYDDUGHS-UHFFFAOYSA-N
XLogP3.29
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethyl]-N-methylaniline 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-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethyl]-N-methylaniline?
The IUPAC name of 4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethyl]-N-methylaniline (CID 171916811) is 4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethyl]-N-methylaniline.
What is the SMILES notation for 4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethyl]-N-methylaniline?
The canonical SMILES for 4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethyl]-N-methylaniline is CNc1ccc(CCc2ccc(OCCOCCOCCF)nc2)cc1.
What is the InChIKey of 4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethyl]-N-methylaniline?
The InChIKey is MEMFJEKYDDUGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h4-9,16,22H,2-3,10-15H2,1H3.
What are the key properties of 4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethyl]-N-methylaniline?
4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethyl]-N-methylaniline has a molecular weight of 362.45 g/mol, XLogP of 3.29, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethyl]-N-methylaniline is sourced from PubChem (CID 171916811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).