2-methoxy-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine

C11H12F5NO2 — CID 55092755

IUPAC2-methoxy-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine
SMILESCOCCNCCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H12F5NO2/c1-18-4-2-17-3-5-19-11-9(15)7(13)6(12)8(14)10(11)16/h17H,2-5H2,1H3
InChIKeyHNMAEMCLDDMTRZ-UHFFFAOYSA-N
MW285.21 g/mol
LogP2.00
Rot. Bonds7

About 2-methoxy-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine

2-methoxy-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine (PubChem CID 55092755) has the molecular formula C11H12F5NO2 and a molecular weight of 285.21 g/mol. Its IUPAC name is 2-methoxy-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine
PubChem CID55092755
Molecular FormulaC11H12F5NO2
Molecular Weight285.21 g/mol
Exact Mass285.08
IUPAC Name2-methoxy-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine
SMILESCOCCNCCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H12F5NO2/c1-18-4-2-17-3-5-19-11-9(15)7(13)6(12)8(14)10(11)16/h17H,2-5H2,1H3
InChIKeyHNMAEMCLDDMTRZ-UHFFFAOYSA-N
XLogP2.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 52.00
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'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine
CID 103290282
N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]-2-(2,3,5,6-tetrafluoro-4-methylphenoxy)ethanamine
CID 156647654
N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 81269641
1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene
CID 2833797
N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 63037352
N-ethyl-4-(2,3,4,5,6-pentafluorophenoxy)butan-1-amine
CID 62583045
N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine
CID 116690537
CID 89324812
CID 89324812
3-(2,6-dimethoxyphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62571933
3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62599508
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine
CID 102987264

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine?
The IUPAC name of 2-methoxy-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine (CID 55092755) is 2-methoxy-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine is COCCNCCOc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-methoxy-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine?
The InChIKey is HNMAEMCLDDMTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5NO2/c1-18-4-2-17-3-5-19-11-9(15)7(13)6(12)8(14)10(11)16/h17H,2-5H2,1H3.
What are the key properties of 2-methoxy-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine?
2-methoxy-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine has a molecular weight of 285.21 g/mol, XLogP of 2.00, 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-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine is sourced from PubChem (CID 55092755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).