2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine

C13H18FNO2 — CID 104749553

IUPAC2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine
SMILESCc1ccc(F)c(OCC(N)C2CCOC2)c1
InChIInChI=1S/C13H18FNO2/c1-9-2-3-11(14)13(6-9)17-8-12(15)10-4-5-16-7-10/h2-3,6,10,12H,4-5,7-8,15H2,1H3
InChIKeyCFDZWLGGPODOLZ-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.88
Rot. Bonds4

About 2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine

2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine (PubChem CID 104749553) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine
PubChem CID104749553
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine
SMILESCc1ccc(F)c(OCC(N)C2CCOC2)c1
InChIInChI=1S/C13H18FNO2/c1-9-2-3-11(14)13(6-9)17-8-12(15)10-4-5-16-7-10/h2-3,6,10,12H,4-5,7-8,15H2,1H3
InChIKeyCFDZWLGGPODOLZ-UHFFFAOYSA-N
XLogP1.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine 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

3-[(2-fluoro-5-methylphenoxy)methyl]oxolane
CID 64853732
2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748355
2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine
CID 117238680
2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748364
2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753451
3-(2-fluoro-5-methylphenoxy)oxan-4-amine
CID 64854428
2-(4-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748475
1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 113448536
(2-fluoro-5-methylphenyl)-(oxolan-3-yl)methanol
CID 63893222
2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748375
1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene
CID 134558934
(1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine
CID 95252700

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine (CID 104749553) is 2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine is Cc1ccc(F)c(OCC(N)C2CCOC2)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine?
The InChIKey is CFDZWLGGPODOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9-2-3-11(14)13(6-9)17-8-12(15)10-4-5-16-7-10/h2-3,6,10,12H,4-5,7-8,15H2,1H3.
What are the key properties of 2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine?
2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine has a molecular weight of 239.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104749553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).