2-(4-fluorophenoxy)-N,N-bis[2-(4-fluorophenoxy)ethyl]ethanamine

C24H24F3NO3 — CID 101468114

IUPAC2-(4-fluorophenoxy)-N,N-bis[2-(4-fluorophenoxy)ethyl]ethanamine
SMILESFc1ccc(OCCN(CCOc2ccc(F)cc2)CCOc2ccc(F)cc2)cc1
InChIInChI=1S/C24H24F3NO3/c25-19-1-7-22(8-2-19)29-16-13-28(14-17-30-23-9-3-20(26)4-10-23)15-18-31-24-11-5-21(27)6-12-24/h1-12H,13-18H2
InChIKeyGACRSPPWDMZBKQ-UHFFFAOYSA-N
MW431.45 g/mol
LogP4.94
Rot. Bonds12

About 2-(4-fluorophenoxy)-N,N-bis[2-(4-fluorophenoxy)ethyl]ethanamine

2-(4-fluorophenoxy)-N,N-bis[2-(4-fluorophenoxy)ethyl]ethanamine (PubChem CID 101468114) has the molecular formula C24H24F3NO3 and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N,N-bis[2-(4-fluorophenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N,N-bis[2-(4-fluorophenoxy)ethyl]ethanamine
PubChem CID101468114
Molecular FormulaC24H24F3NO3
Molecular Weight431.45 g/mol
Exact Mass431.17
IUPAC Name2-(4-fluorophenoxy)-N,N-bis[2-(4-fluorophenoxy)ethyl]ethanamine
SMILESFc1ccc(OCCN(CCOc2ccc(F)cc2)CCOc2ccc(F)cc2)cc1
InChIInChI=1S/C24H24F3NO3/c25-19-1-7-22(8-2-19)29-16-13-28(14-17-30-23-9-3-20(26)4-10-23)15-18-31-24-11-5-21(27)6-12-24/h1-12H,13-18H2
InChIKeyGACRSPPWDMZBKQ-UHFFFAOYSA-N
XLogP4.94
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N,N-bis[2-(4-fluorophenoxy)ethyl]ethanamine?
The IUPAC name of 2-(4-fluorophenoxy)-N,N-bis[2-(4-fluorophenoxy)ethyl]ethanamine (CID 101468114) is 2-(4-fluorophenoxy)-N,N-bis[2-(4-fluorophenoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenoxy)-N,N-bis[2-(4-fluorophenoxy)ethyl]ethanamine?
The canonical SMILES for 2-(4-fluorophenoxy)-N,N-bis[2-(4-fluorophenoxy)ethyl]ethanamine is Fc1ccc(OCCN(CCOc2ccc(F)cc2)CCOc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N,N-bis[2-(4-fluorophenoxy)ethyl]ethanamine?
The InChIKey is GACRSPPWDMZBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO3/c25-19-1-7-22(8-2-19)29-16-13-28(14-17-30-23-9-3-20(26)4-10-23)15-18-31-24-11-5-21(27)6-12-24/h1-12H,13-18H2.
What are the key properties of 2-(4-fluorophenoxy)-N,N-bis[2-(4-fluorophenoxy)ethyl]ethanamine?
2-(4-fluorophenoxy)-N,N-bis[2-(4-fluorophenoxy)ethyl]ethanamine has a molecular weight of 431.45 g/mol, XLogP of 4.94, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N,N-bis[2-(4-fluorophenoxy)ethyl]ethanamine is sourced from PubChem (CID 101468114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).