1-(4-fluorophenyl)-2-(oxolan-3-yloxy)ethanamine

C12H16FNO2 — CID 107523657

IUPAC1-(4-fluorophenyl)-2-(oxolan-3-yloxy)ethanamine
SMILESNC(COC1CCOC1)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c13-10-3-1-9(2-4-10)12(14)8-16-11-5-6-15-7-11/h1-4,11-12H,5-8,14H2
InChIKeyQLLIRQZPKGESEQ-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.63
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(oxolan-3-yloxy)ethanamine

1-(4-fluorophenyl)-2-(oxolan-3-yloxy)ethanamine (PubChem CID 107523657) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(oxolan-3-yloxy)ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(oxolan-3-yloxy)ethanamine
PubChem CID107523657
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name1-(4-fluorophenyl)-2-(oxolan-3-yloxy)ethanamine
SMILESNC(COC1CCOC1)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c13-10-3-1-9(2-4-10)12(14)8-16-11-5-6-15-7-11/h1-4,11-12H,5-8,14H2
InChIKeyQLLIRQZPKGESEQ-UHFFFAOYSA-N
XLogP1.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-2-(oxolan-3-yloxy)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

1-(4-ethylphenyl)-2-(oxolan-3-yloxy)ethanamine
CID 63559434
1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine
CID 63558840
1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine
CID 61287973
3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxolane
CID 63558670
2-amino-3-(oxolan-3-yloxy)propanenitrile
CID 63556703
3-amino-N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119952304
2-(oxan-4-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107523475
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
(R)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891776
(S)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891777
3-(oxolan-3-yloxy)-2-phenylpropane-1-sulfonamide
CID 65015045
4-fluoro-2-(oxolan-3-yloxymethyl)benzonitrile
CID 107903450

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(oxolan-3-yloxy)ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-2-(oxolan-3-yloxy)ethanamine (CID 107523657) is 1-(4-fluorophenyl)-2-(oxolan-3-yloxy)ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(oxolan-3-yloxy)ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-(oxolan-3-yloxy)ethanamine is NC(COC1CCOC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(oxolan-3-yloxy)ethanamine?
The InChIKey is QLLIRQZPKGESEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c13-10-3-1-9(2-4-10)12(14)8-16-11-5-6-15-7-11/h1-4,11-12H,5-8,14H2.
What are the key properties of 1-(4-fluorophenyl)-2-(oxolan-3-yloxy)ethanamine?
1-(4-fluorophenyl)-2-(oxolan-3-yloxy)ethanamine has a molecular weight of 225.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(oxolan-3-yloxy)ethanamine is sourced from PubChem (CID 107523657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).