2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine

C13H18FNO2 — CID 117238779

IUPAC2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine
SMILESNC(COc1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C13H18FNO2/c14-11-2-1-3-12(8-11)17-9-13(15)10-4-6-16-7-5-10/h1-3,8,10,13H,4-7,9,15H2
InChIKeyTYBFKJVVTWQGEN-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.96
Rot. Bonds4

About 2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine

2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine (PubChem CID 117238779) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine
PubChem CID117238779
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine
SMILESNC(COc1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C13H18FNO2/c14-11-2-1-3-12(8-11)17-9-13(15)10-4-6-16-7-5-10/h1-3,8,10,13H,4-7,9,15H2
InChIKeyTYBFKJVVTWQGEN-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-(3-fluorophenoxy)-1-pyrrolidin-3-ylethanamine
CID 117237369
2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine
CID 117238680
(S)-(3-fluorophenyl)-(oxan-4-yl)methanamine
CID 95255362
3-(2-amino-2-cyclobutylethoxy)phenol
CID 117245581
1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
CID 104749344
2-(3-bromophenoxy)-1-cyclobutylethanamine
CID 117245578
1-cyclopropyl-2-(3-ethylphenoxy)ethanamine
CID 63907502
1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131637584
2-(2-bromophenoxy)-1-(oxan-4-yl)ethanamine
CID 117238682
1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262538
2-(3-bromophenoxy)-1-(thian-4-yl)ethanamine
CID 117238803
2-(3-bromophenoxy)-1-piperidin-4-ylethanamine
CID 117238821

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine (CID 117238779) is 2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine is NC(COc1cccc(F)c1)C1CCOCC1.
What is the InChIKey of 2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine?
The InChIKey is TYBFKJVVTWQGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c14-11-2-1-3-12(8-11)17-9-13(15)10-4-6-16-7-5-10/h1-3,8,10,13H,4-7,9,15H2.
What are the key properties of 2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine?
2-(3-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-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 117238779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).