N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine

C11H15F2NO2 — CID 63037352

IUPACN-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine
SMILESCOCCNCCOc1cccc(F)c1F
InChIInChI=1S/C11H15F2NO2/c1-15-7-5-14-6-8-16-10-4-2-3-9(12)11(10)13/h2-4,14H,5-8H2,1H3
InChIKeyYXGXVZVSSJNQRI-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.58
Rot. Bonds7

About N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine

N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine (PubChem CID 63037352) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine
PubChem CID63037352
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC NameN-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine
SMILESCOCCNCCOc1cccc(F)c1F
InChIInChI=1S/C11H15F2NO2/c1-15-7-5-14-6-8-16-10-4-2-3-9(12)11(10)13/h2-4,14H,5-8H2,1H3
InChIKeyYXGXVZVSSJNQRI-UHFFFAOYSA-N
XLogP1.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine
CID 116690537
N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 81269641
N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63070603
1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene
CID 71446254
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine
CID 102987264
N-[3-(2,3-difluorophenoxy)propyl]aniline
CID 55143618
N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
CID 28879092
2-(2,3-difluorophenoxy)ethanamine
CID 63036211
3-(2,6-dimethoxyphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62571933
N-[2-(4-bromo-2-fluorophenoxy)ethyl]-2-methoxyethanamine
CID 62598740
1-dodecoxy-2,3-difluorobenzene
CID 15854521
1,2-difluoro-3-(2-methylsulfanylethoxy)benzene
CID 103907571

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine?
The IUPAC name of N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine (CID 63037352) is N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine.
What is the SMILES notation for N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine?
The canonical SMILES for N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine is COCCNCCOc1cccc(F)c1F.
What is the InChIKey of N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine?
The InChIKey is YXGXVZVSSJNQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-15-7-5-14-6-8-16-10-4-2-3-9(12)11(10)13/h2-4,14H,5-8H2,1H3.
What are the key properties of N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine?
N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine has a molecular weight of 231.24 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine is sourced from PubChem (CID 63037352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).