2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine

C11H13F4NO2 — CID 103290282

IUPAC2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine
SMILESCOCCNCCOc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C11H13F4NO2/c1-17-4-2-16-3-5-18-11-9(14)7(12)6-8(13)10(11)15/h6,16H,2-5H2,1H3
InChIKeyQYDIJYHWONTPPH-UHFFFAOYSA-N
MW267.22 g/mol
LogP1.86
Rot. Bonds7

About 2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine

2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine (PubChem CID 103290282) has the molecular formula C11H13F4NO2 and a molecular weight of 267.22 g/mol. Its IUPAC name is 2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine
PubChem CID103290282
Molecular FormulaC11H13F4NO2
Molecular Weight267.22 g/mol
Exact Mass267.09
IUPAC Name2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine
SMILESCOCCNCCOc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C11H13F4NO2/c1-17-4-2-16-3-5-18-11-9(14)7(12)6-8(13)10(11)15/h6,16H,2-5H2,1H3
InChIKeyQYDIJYHWONTPPH-UHFFFAOYSA-N
XLogP1.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

2-methoxy-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine
CID 55092755
3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
CID 103290316
N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 81269641
N-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine
CID 103290253
N-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine
CID 103289199
N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 63037352
4-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]aniline
CID 103290318
N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]butan-2-amine
CID 103290342
3-butoxy-1,2,4,5-tetrafluorobenzene
CID 22416140
N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]-2-(2,3,5,6-tetrafluoro-4-methylphenoxy)ethanamine
CID 156647654
3,4,5-trifluoro-N-(2-methoxyethyl)aniline
CID 62811343
N-[2-(4-bromo-2-fluorophenoxy)ethyl]-2-methoxyethanamine
CID 62598740

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine?
The IUPAC name of 2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine (CID 103290282) is 2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine is COCCNCCOc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine?
The InChIKey is QYDIJYHWONTPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO2/c1-17-4-2-16-3-5-18-11-9(14)7(12)6-8(13)10(11)15/h6,16H,2-5H2,1H3.
What are the key properties of 2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine?
2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine has a molecular weight of 267.22 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine is sourced from PubChem (CID 103290282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).