2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine

C13H18FNO2 — CID 117238680

IUPAC2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine
SMILESNC(COc1ccccc1F)C1CCOCC1
InChIInChI=1S/C13H18FNO2/c14-11-3-1-2-4-13(11)17-9-12(15)10-5-7-16-8-6-10/h1-4,10,12H,5-9,15H2
InChIKeyZKBFBRIYJXRIMO-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.96
Rot. Bonds4

About 2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine

2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine (PubChem CID 117238680) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine
PubChem CID117238680
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine
SMILESNC(COc1ccccc1F)C1CCOCC1
InChIInChI=1S/C13H18FNO2/c14-11-3-1-2-4-13(11)17-9-12(15)10-5-7-16-8-6-10/h1-4,10,12H,5-9,15H2
InChIKeyZKBFBRIYJXRIMO-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenoxy)-1-(oxan-4-yl)ethanamine
CID 117238682
1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine
CID 63905866
2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine
CID 117238779
2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748355
2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104749553
2-(2-fluorophenoxy)-1-phenylethanamine
CID 16782769
2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid
CID 117245498
(2-fluorophenyl)-(oxan-4-yl)methanamine
CID 63934888
3-[(2-fluorophenoxy)methyl]oxolane
CID 60773526
1-cyclopropyl-2-(2-propoxyphenoxy)ethanamine
CID 63913161
1-(2,2-difluoroethoxy)-2-fluorobenzene
CID 64766194
(2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 2330413

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine (CID 117238680) is 2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine is NC(COc1ccccc1F)C1CCOCC1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine?
The InChIKey is ZKBFBRIYJXRIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c14-11-3-1-2-4-13(11)17-9-12(15)10-5-7-16-8-6-10/h1-4,10,12H,5-9,15H2.
What are the key properties of 2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine?
2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine has a molecular weight of 239.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 117238680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).