1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine

C16H25FN2O — CID 102744257

IUPAC1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
SMILESCC(N)c1c(F)cccc1N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C16H25FN2O/c1-11(18)14-12(17)7-6-8-13(14)19-9-15(2,3)20-16(4,5)10-19/h6-8,11H,9-10,18H2,1-5H3
InChIKeyBAJIHPINQLROKW-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.24
Rot. Bonds2

About 1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine

1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine (PubChem CID 102744257) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
PubChem CID102744257
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
SMILESCC(N)c1c(F)cccc1N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C16H25FN2O/c1-11(18)14-12(17)7-6-8-13(14)19-9-15(2,3)20-16(4,5)10-19/h6-8,11H,9-10,18H2,1-5H3
InChIKeyBAJIHPINQLROKW-UHFFFAOYSA-N
XLogP3.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol
CID 102744613
2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
CID 102742805
(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine
CID 78935636
(1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine
CID 63368928
1-[2-fluoro-6-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62974495
(1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 78936860
1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine
CID 61432786
1-[2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluorophenyl]ethanamine
CID 103534523
(1R)-1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine
CID 113335795
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine
CID 115560206
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine
CID 43581575
(1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanamine
CID 55191185

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine (CID 102744257) is 1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine is CC(N)c1c(F)cccc1N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine?
The InChIKey is BAJIHPINQLROKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-11(18)14-12(17)7-6-8-13(14)19-9-15(2,3)20-16(4,5)10-19/h6-8,11H,9-10,18H2,1-5H3.
What are the key properties of 1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine?
1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine has a molecular weight of 280.39 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine is sourced from PubChem (CID 102744257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).