2-[3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-5-yl]ethanamine

C12H17FN2O — CID 141217231

IUPAC2-[3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-5-yl]ethanamine
SMILESCc1ccc(N2COC(CCN)C2)cc1F
InChIInChI=1S/C12H17FN2O/c1-9-2-3-10(6-12(9)13)15-7-11(4-5-14)16-8-15/h2-3,6,11H,4-5,7-8,14H2,1H3
InChIKeyFKURMVMQBUUOHZ-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.65
Rot. Bonds3

About 2-[3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-5-yl]ethanamine

2-[3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-5-yl]ethanamine (PubChem CID 141217231) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-5-yl]ethanamine
PubChem CID141217231
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-[3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-5-yl]ethanamine
SMILESCc1ccc(N2COC(CCN)C2)cc1F
InChIInChI=1S/C12H17FN2O/c1-9-2-3-10(6-12(9)13)15-7-11(4-5-14)16-8-15/h2-3,6,11H,4-5,7-8,14H2,1H3
InChIKeyFKURMVMQBUUOHZ-UHFFFAOYSA-N
XLogP1.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine
CID 82300838
2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine
CID 82308317
tert-butyl 2-[4-[(5S)-5-(aminomethyl)-1,3-oxazolidin-3-yl]-2-fluoroanilino]acetate
CID 141032236
2-[6-methyl-4-(4-methylphenyl)morpholin-2-yl]ethanamine
CID 82290839
2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine
CID 82299003
[1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanol
CID 64865831
3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine
CID 64925990
1-(3-fluoro-4-methylphenyl)-4-phenylpiperazine
CID 155276373
ethyl 3-[(5S)-5-(aminomethyl)-1,3-oxazolidin-3-yl]benzoate
CID 155449703
[(5S)-3-[3,5-difluoro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1,3-oxazolidin-5-yl]methanamine
CID 146310143
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline
CID 94894664
3-tert-butyl-1-(3-fluoro-4-methylphenyl)piperazine
CID 64925792

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-5-yl]ethanamine?
The IUPAC name of 2-[3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-5-yl]ethanamine (CID 141217231) is 2-[3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-5-yl]ethanamine?
The canonical SMILES for 2-[3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-5-yl]ethanamine is Cc1ccc(N2COC(CCN)C2)cc1F.
What is the InChIKey of 2-[3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-5-yl]ethanamine?
The InChIKey is FKURMVMQBUUOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9-2-3-10(6-12(9)13)15-7-11(4-5-14)16-8-15/h2-3,6,11H,4-5,7-8,14H2,1H3.
What are the key properties of 2-[3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-5-yl]ethanamine?
2-[3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-5-yl]ethanamine has a molecular weight of 224.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-5-yl]ethanamine is sourced from PubChem (CID 141217231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).