2-[2-(4-chlorophenoxy)-5-fluorophenoxy]-N,N-dimethylethanamine

C16H17ClFNO2 — CID 155988336

IUPAC2-[2-(4-chlorophenoxy)-5-fluorophenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(F)ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFNO2/c1-19(2)9-10-20-16-11-13(18)5-8-15(16)21-14-6-3-12(17)4-7-14/h3-8,11H,9-10H2,1-2H3
InChIKeyXPGGUAQLRGMHEI-UHFFFAOYSA-N
MW309.77 g/mol
LogP4.21
Rot. Bonds6

About 2-[2-(4-chlorophenoxy)-5-fluorophenoxy]-N,N-dimethylethanamine

2-[2-(4-chlorophenoxy)-5-fluorophenoxy]-N,N-dimethylethanamine (PubChem CID 155988336) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)-5-fluorophenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)-5-fluorophenoxy]-N,N-dimethylethanamine
PubChem CID155988336
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name2-[2-(4-chlorophenoxy)-5-fluorophenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(F)ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFNO2/c1-19(2)9-10-20-16-11-13(18)5-8-15(16)21-14-6-3-12(17)4-7-14/h3-8,11H,9-10H2,1-2H3
InChIKeyXPGGUAQLRGMHEI-UHFFFAOYSA-N
XLogP4.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)-5-fluorophenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(4-chlorophenoxy)-5-fluorophenoxy]-N,N-dimethylethanamine (CID 155988336) is 2-[2-(4-chlorophenoxy)-5-fluorophenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)-5-fluorophenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(4-chlorophenoxy)-5-fluorophenoxy]-N,N-dimethylethanamine is CN(C)CCOc1cc(F)ccc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)-5-fluorophenoxy]-N,N-dimethylethanamine?
The InChIKey is XPGGUAQLRGMHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-19(2)9-10-20-16-11-13(18)5-8-15(16)21-14-6-3-12(17)4-7-14/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 2-[2-(4-chlorophenoxy)-5-fluorophenoxy]-N,N-dimethylethanamine?
2-[2-(4-chlorophenoxy)-5-fluorophenoxy]-N,N-dimethylethanamine has a molecular weight of 309.77 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)-5-fluorophenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 155988336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).