4-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]aniline

C15H13F4NO — CID 103290318

IUPAC4-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]aniline
SMILESCc1ccc(NCCOc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C15H13F4NO/c1-9-2-4-10(5-3-9)20-6-7-21-15-13(18)11(16)8-12(17)14(15)19/h2-5,8,20H,6-7H2,1H3
InChIKeyUFFJUMATJUDESK-UHFFFAOYSA-N
MW299.27 g/mol
LogP4.04
Rot. Bonds5

About 4-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]aniline

4-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]aniline (PubChem CID 103290318) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 4-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]aniline
PubChem CID103290318
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name4-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]aniline
SMILESCc1ccc(NCCOc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C15H13F4NO/c1-9-2-4-10(5-3-9)20-6-7-21-15-13(18)11(16)8-12(17)14(15)19/h2-5,8,20H,6-7H2,1H3
InChIKeyUFFJUMATJUDESK-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]aniline?
The IUPAC name of 4-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]aniline (CID 103290318) is 4-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]aniline.
What is the SMILES notation for 4-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]aniline?
The canonical SMILES for 4-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]aniline is Cc1ccc(NCCOc2c(F)c(F)cc(F)c2F)cc1.
What is the InChIKey of 4-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]aniline?
The InChIKey is UFFJUMATJUDESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-9-2-4-10(5-3-9)20-6-7-21-15-13(18)11(16)8-12(17)14(15)19/h2-5,8,20H,6-7H2,1H3.
What are the key properties of 4-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]aniline?
4-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]aniline has a molecular weight of 299.27 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]aniline is sourced from PubChem (CID 103290318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).