3-[[3-fluoro-5-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol

C16H26FNO3 — CID 114492451

IUPAC3-[[3-fluoro-5-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1cc(F)cc(CNCCOC)c1
InChIInChI=1S/C16H26FNO3/c1-4-16(19,5-2)12-21-15-9-13(8-14(17)10-15)11-18-6-7-20-3/h8-10,18-19H,4-7,11-12H2,1-3H3
InChIKeyNIDOXNPAUBTJCD-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.49
Rot. Bonds10

About 3-[[3-fluoro-5-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol

3-[[3-fluoro-5-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol (PubChem CID 114492451) has the molecular formula C16H26FNO3 and a molecular weight of 299.39 g/mol. Its IUPAC name is 3-[[3-fluoro-5-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[3-fluoro-5-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
PubChem CID114492451
Molecular FormulaC16H26FNO3
Molecular Weight299.39 g/mol
Exact Mass299.19
IUPAC Name3-[[3-fluoro-5-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1cc(F)cc(CNCCOC)c1
InChIInChI=1S/C16H26FNO3/c1-4-16(19,5-2)12-21-15-9-13(8-14(17)10-15)11-18-6-7-20-3/h8-10,18-19H,4-7,11-12H2,1-3H3
InChIKeyNIDOXNPAUBTJCD-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'}

Analyze 3-[[3-fluoro-5-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(ethylaminomethyl)-5-fluorophenoxy]-2-methylbutan-2-ol
CID 114492432
3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114492355
1-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 114491978
3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114491988
3-[[2,6-dimethyl-4-(propylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114491559
3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 114524943
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107689136
N-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 79891677
1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 113317787
N-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 106722559
2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63059172
1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107697135

Frequently Asked Questions

What is the IUPAC name of 3-[[3-fluoro-5-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol?
The IUPAC name of 3-[[3-fluoro-5-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol (CID 114492451) is 3-[[3-fluoro-5-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[3-fluoro-5-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol?
The canonical SMILES for 3-[[3-fluoro-5-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol is CCC(O)(CC)COc1cc(F)cc(CNCCOC)c1.
What is the InChIKey of 3-[[3-fluoro-5-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol?
The InChIKey is NIDOXNPAUBTJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO3/c1-4-16(19,5-2)12-21-15-9-13(8-14(17)10-15)11-18-6-7-20-3/h8-10,18-19H,4-7,11-12H2,1-3H3.
What are the key properties of 3-[[3-fluoro-5-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol?
3-[[3-fluoro-5-[(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-[[3-fluoro-5-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol is sourced from PubChem (CID 114492451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).