1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine

C14H20F2N2O — CID 107520066

IUPAC1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
SMILESCC1(C)COCCN1CC(N)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2O/c1-14(2)9-19-6-5-18(14)8-13(17)11-7-10(15)3-4-12(11)16/h3-4,7,13H,5-6,8-9,17H2,1-2H3
InChIKeyASXQAQXWFHQSRT-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.08
Rot. Bonds3

About 1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine

1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine (PubChem CID 107520066) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
PubChem CID107520066
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
SMILESCC1(C)COCCN1CC(N)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2O/c1-14(2)9-19-6-5-18(14)8-13(17)11-7-10(15)3-4-12(11)16/h3-4,7,13H,5-6,8-9,17H2,1-2H3
InChIKeyASXQAQXWFHQSRT-UHFFFAOYSA-N
XLogP2.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine
CID 107521756
1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone
CID 61432852
1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 107520830
(1R)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol
CID 63371183
(1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol
CID 78940058
[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine
CID 61433103
2-[(3,3-dimethylmorpholin-4-yl)methyl]-5-fluorobenzenecarbothioamide
CID 63293104
1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 107522065
1-(2,5-difluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 79065702
3-[(3,3-dimethylmorpholin-4-yl)methyl]-4-fluorobenzenecarbothioamide
CID 61433214
1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 107519852
4-[2-(bromomethyl)-4-fluorophenyl]-3,3-dimethylmorpholine
CID 107081189

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine (CID 107520066) is 1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine is CC1(C)COCCN1CC(N)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine?
The InChIKey is ASXQAQXWFHQSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-14(2)9-19-6-5-18(14)8-13(17)11-7-10(15)3-4-12(11)16/h3-4,7,13H,5-6,8-9,17H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine?
1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine has a molecular weight of 270.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 107520066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).