1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine

C15H24FNO4 — CID 104560887

IUPAC1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
SMILESCOCCOCCOCCOc1cc(F)ccc1C(C)N
InChIInChI=1S/C15H24FNO4/c1-12(17)14-4-3-13(16)11-15(14)21-10-9-20-8-7-19-6-5-18-2/h3-4,11-12H,5-10,17H2,1-2H3
InChIKeyXXPDBZXBHYKUFD-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.90
Rot. Bonds11

About 1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine

1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine (PubChem CID 104560887) has the molecular formula C15H24FNO4 and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
PubChem CID104560887
Molecular FormulaC15H24FNO4
Molecular Weight301.36 g/mol
Exact Mass301.17
IUPAC Name1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
SMILESCOCCOCCOCCOc1cc(F)ccc1C(C)N
InChIInChI=1S/C15H24FNO4/c1-12(17)14-4-3-13(16)11-15(14)21-10-9-20-8-7-19-6-5-18-2/h3-4,11-12H,5-10,17H2,1-2H3
InChIKeyXXPDBZXBHYKUFD-UHFFFAOYSA-N
XLogP1.90
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene
CID 167302497
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326
1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410280
1-[2-[2-(4-bromophenoxy)ethoxy]-4-fluorophenyl]ethanamine
CID 63066537
(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine
CID 63486431
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 63066535
(1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564087
(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine
CID 107718394
1-[4-fluoro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol
CID 63067681
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
CID 104559855
2-[2-(1-aminoethyl)-5-fluorophenoxy]acetamide
CID 63066360
(1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine
CID 29003282

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine?
The IUPAC name of 1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine (CID 104560887) is 1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine?
The canonical SMILES for 1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine is COCCOCCOCCOc1cc(F)ccc1C(C)N.
What is the InChIKey of 1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine?
The InChIKey is XXPDBZXBHYKUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO4/c1-12(17)14-4-3-13(16)11-15(14)21-10-9-20-8-7-19-6-5-18-2/h3-4,11-12H,5-10,17H2,1-2H3.
What are the key properties of 1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine?
1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine has a molecular weight of 301.36 g/mol, XLogP of 1.90, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine is sourced from PubChem (CID 104560887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).