3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol

C16H26FNO3 — CID 114492355

IUPAC3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1c(F)cccc1CNCCOC
InChIInChI=1S/C16H26FNO3/c1-4-16(19,5-2)12-21-15-13(7-6-8-14(15)17)11-18-9-10-20-3/h6-8,18-19H,4-5,9-12H2,1-3H3
InChIKeyPXUFSAKTZFVGKE-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.49
Rot. Bonds10

About 3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol

3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol (PubChem CID 114492355) has the molecular formula C16H26FNO3 and a molecular weight of 299.39 g/mol. Its IUPAC name is 3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
PubChem CID114492355
Molecular FormulaC16H26FNO3
Molecular Weight299.39 g/mol
Exact Mass299.19
IUPAC Name3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1c(F)cccc1CNCCOC
InChIInChI=1S/C16H26FNO3/c1-4-16(19,5-2)12-21-15-13(7-6-8-14(15)17)11-18-9-10-20-3/h6-8,18-19H,4-5,9-12H2,1-3H3
InChIKeyPXUFSAKTZFVGKE-UHFFFAOYSA-N
XLogP2.49
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-2,2-dimethylpropanoic acid
CID 115955466
3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114491988
N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 112610863
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
CID 112610885
ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 115955408
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
CID 112610838
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
CID 112610886
3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114492299
N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 112609648
N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 115955367
N-[[3-fluoro-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115955370
N-[(2-butan-2-yloxy-3-fluorophenyl)methyl]-2-methoxyethanamine
CID 112610843

Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol?
The IUPAC name of 3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol (CID 114492355) is 3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol?
The canonical SMILES for 3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol is CCC(O)(CC)COc1c(F)cccc1CNCCOC.
What is the InChIKey of 3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol?
The InChIKey is PXUFSAKTZFVGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO3/c1-4-16(19,5-2)12-21-15-13(7-6-8-14(15)17)11-18-9-10-20-3/h6-8,18-19H,4-5,9-12H2,1-3H3.
What are the key properties of 3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol?
3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol has a molecular weight of 299.39 g/mol, XLogP of 2.49, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol is sourced from PubChem (CID 114492355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).