1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

C13H16FN3O2 — CID 84598501

IUPAC1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCOc1cccc(F)c1C(C)NCc1noc(C)n1
InChIInChI=1S/C13H16FN3O2/c1-8(15-7-12-16-9(2)19-17-12)13-10(14)5-4-6-11(13)18-3/h4-6,8,15H,7H2,1-3H3
InChIKeyUEFSTUBQFQWVRP-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.38
Rot. Bonds5

About 1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (PubChem CID 84598501) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
PubChem CID84598501
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCOc1cccc(F)c1C(C)NCc1noc(C)n1
InChIInChI=1S/C13H16FN3O2/c1-8(15-7-12-16-9(2)19-17-12)13-10(14)5-4-6-11(13)18-3/h4-6,8,15H,7H2,1-3H3
InChIKeyUEFSTUBQFQWVRP-UHFFFAOYSA-N
XLogP2.38
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103912882
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 112695110
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
1-(2-ethoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103913111
(1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 107911793
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 112700389
1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 103931481
N-[(3,4-difluorophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655779
1-(5-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 106391684
1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895281

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (CID 84598501) is 1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is COc1cccc(F)c1C(C)NCc1noc(C)n1.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The InChIKey is UEFSTUBQFQWVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-8(15-7-12-16-9(2)19-17-12)13-10(14)5-4-6-11(13)18-3/h4-6,8,15H,7H2,1-3H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine has a molecular weight of 265.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 84598501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).