2-[2-(4-fluorophenoxy)ethoxy]-N-(oxolan-2-ylmethyl)ethanamine

C15H22FNO3 — CID 658321

IUPAC2-[2-(4-fluorophenoxy)ethoxy]-N-(oxolan-2-ylmethyl)ethanamine
SMILESFc1ccc(OCCOCCNCC2CCCO2)cc1
InChIInChI=1S/C15H22FNO3/c16-13-3-5-14(6-4-13)20-11-10-18-9-7-17-12-15-2-1-8-19-15/h3-6,15,17H,1-2,7-12H2
InChIKeyRHCPJGMOPIMKFS-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.99
Rot. Bonds9

About 2-[2-(4-fluorophenoxy)ethoxy]-N-(oxolan-2-ylmethyl)ethanamine

2-[2-(4-fluorophenoxy)ethoxy]-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 658321) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-[2-(4-fluorophenoxy)ethoxy]-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[2-(4-fluorophenoxy)ethoxy]-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID658321
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name2-[2-(4-fluorophenoxy)ethoxy]-N-(oxolan-2-ylmethyl)ethanamine
SMILESFc1ccc(OCCOCCNCC2CCCO2)cc1
InChIInChI=1S/C15H22FNO3/c16-13-3-5-14(6-4-13)20-11-10-18-9-7-17-12-15-2-1-8-19-15/h3-6,15,17H,1-2,7-12H2
InChIKeyRHCPJGMOPIMKFS-UHFFFAOYSA-N
XLogP1.99
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenoxy)ethoxy]-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-[2-(4-fluorophenoxy)ethoxy]-N-(oxolan-2-ylmethyl)ethanamine (CID 658321) is 2-[2-(4-fluorophenoxy)ethoxy]-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-[2-(4-fluorophenoxy)ethoxy]-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-[2-(4-fluorophenoxy)ethoxy]-N-(oxolan-2-ylmethyl)ethanamine is Fc1ccc(OCCOCCNCC2CCCO2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenoxy)ethoxy]-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is RHCPJGMOPIMKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c16-13-3-5-14(6-4-13)20-11-10-18-9-7-17-12-15-2-1-8-19-15/h3-6,15,17H,1-2,7-12H2.
What are the key properties of 2-[2-(4-fluorophenoxy)ethoxy]-N-(oxolan-2-ylmethyl)ethanamine?
2-[2-(4-fluorophenoxy)ethoxy]-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 283.34 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenoxy)ethoxy]-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 658321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).