5-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]pentan-1-ol

C15H24FNO3 — CID 107696990

IUPAC5-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]pentan-1-ol
SMILESCOCCNCc1cc(F)ccc1OCCCCCO
InChIInChI=1S/C15H24FNO3/c1-19-10-7-17-12-13-11-14(16)5-6-15(13)20-9-4-2-3-8-18/h5-6,11,17-18H,2-4,7-10,12H2,1H3
InChIKeyNLLDUGLKFQYLFY-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.10
Rot. Bonds11

About 5-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]pentan-1-ol

5-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]pentan-1-ol (PubChem CID 107696990) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is 5-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]pentan-1-ol
PubChem CID107696990
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name5-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]pentan-1-ol
SMILESCOCCNCc1cc(F)ccc1OCCCCCO
InChIInChI=1S/C15H24FNO3/c1-19-10-7-17-12-13-11-14(16)5-6-15(13)20-9-4-2-3-8-18/h5-6,11,17-18H,2-4,7-10,12H2,1H3
InChIKeyNLLDUGLKFQYLFY-UHFFFAOYSA-N
XLogP2.10
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]pentan-1-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

N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine
CID 107696956
4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile
CID 107696907
N-[[2-(3-ethylsulfanylpropoxy)-5-fluorophenyl]methyl]-2-methoxyethanamine
CID 107696885
1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107697135
N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107696982
N-[[5-fluoro-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107696997
N-[[5-fluoro-2-(2-methoxypropoxy)phenyl]methyl]-2-methoxyethanamine
CID 107697107
3-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]-2,2-dimethylpropanoic acid
CID 107697006
N-[[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107697144
N-[[5-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107696919
N-[[5-fluoro-2-(3-fluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695992
4-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol
CID 63062515

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]pentan-1-ol?
The IUPAC name of 5-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]pentan-1-ol (CID 107696990) is 5-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]pentan-1-ol.
What is the SMILES notation for 5-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]pentan-1-ol?
The canonical SMILES for 5-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]pentan-1-ol is COCCNCc1cc(F)ccc1OCCCCCO.
What is the InChIKey of 5-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]pentan-1-ol?
The InChIKey is NLLDUGLKFQYLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3/c1-19-10-7-17-12-13-11-14(16)5-6-15(13)20-9-4-2-3-8-18/h5-6,11,17-18H,2-4,7-10,12H2,1H3.
What are the key properties of 5-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]pentan-1-ol?
5-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]pentan-1-ol has a molecular weight of 285.36 g/mol, XLogP of 2.10, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]pentan-1-ol is sourced from PubChem (CID 107696990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).