N-ethyl-1-(2-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine

C13H18FNO2 — CID 114058381

IUPACN-ethyl-1-(2-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine
SMILESCCNC(COC1COC1)c1ccccc1F
InChIInChI=1S/C13H18FNO2/c1-2-15-13(9-17-10-7-16-8-10)11-5-3-4-6-12(11)14/h3-6,10,13,15H,2,7-9H2,1H3
InChIKeySQUZMOKWXYXQFI-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.89
Rot. Bonds6

About N-ethyl-1-(2-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine

N-ethyl-1-(2-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine (PubChem CID 114058381) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine
PubChem CID114058381
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-ethyl-1-(2-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine
SMILESCCNC(COC1COC1)c1ccccc1F
InChIInChI=1S/C13H18FNO2/c1-2-15-13(9-17-10-7-16-8-10)11-5-3-4-6-12(11)14/h3-6,10,13,15H,2,7-9H2,1H3
InChIKeySQUZMOKWXYXQFI-UHFFFAOYSA-N
XLogP1.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(oxetan-3-yloxy)ethanamine
CID 102606127
1-(4-ethoxyphenyl)-N-ethyl-2-(oxetan-3-yloxy)ethanamine
CID 102606061
N-ethyl-2-(oxetan-3-yloxy)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 102606046
2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 166717657
2-cyclobutyloxy-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 62114747
2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64744360
N'-cyclopropyl-N-ethyl-1-(2-fluorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62642973
N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine
CID 115827795
N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine
CID 115669729
N-ethyl-1-(2-fluorophenyl)-2-(furan-3-yl)ethanamine
CID 83175625
N-methyl-2-(oxetan-3-yloxy)-1-(4-propylphenyl)ethanamine
CID 102605871
N-ethyl-1-(3-methylphenyl)-2-(oxolan-3-yloxy)ethanamine
CID 55218952

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine (CID 114058381) is N-ethyl-1-(2-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine is CCNC(COC1COC1)c1ccccc1F.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine?
The InChIKey is SQUZMOKWXYXQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-2-15-13(9-17-10-7-16-8-10)11-5-3-4-6-12(11)14/h3-6,10,13,15H,2,7-9H2,1H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine?
N-ethyl-1-(2-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine has a molecular weight of 239.29 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine is sourced from PubChem (CID 114058381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).