2-(2-chloro-6-fluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanamine

C14H20ClFN2O — CID 43612940

IUPAC2-(2-chloro-6-fluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
SMILESCCC1COCCN1C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C14H20ClFN2O/c1-2-10-9-19-7-6-18(10)13(8-17)14-11(15)4-3-5-12(14)16/h3-5,10,13H,2,6-9,17H2,1H3
InChIKeyJQOQBWZRIATAKT-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.59
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanamine

2-(2-chloro-6-fluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanamine (PubChem CID 43612940) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
PubChem CID43612940
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
SMILESCCC1COCCN1C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C14H20ClFN2O/c1-2-10-9-19-7-6-18(10)13(8-17)14-11(15)4-3-5-12(14)16/h3-5,10,13H,2,6-9,17H2,1H3
InChIKeyJQOQBWZRIATAKT-UHFFFAOYSA-N
XLogP2.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
CID 65021919
2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54882963
2-(3-ethylmorpholin-4-yl)-2-naphthalen-2-ylethanamine
CID 43611864
2-(3-ethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 43611843
2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689325
2-(4-cyclopropylphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
CID 79983720
2-(2,6-dichlorophenyl)-2-(2,4-diethylpiperazin-1-yl)ethanamine
CID 83977835
2-(3-ethylmorpholin-4-yl)-2-pyridin-3-ylethanamine
CID 43612945
2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 16789934
(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 30122272
2-(2-chlorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine
CID 43541974
2-(2,6-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83053654

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanamine (CID 43612940) is 2-(2-chloro-6-fluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanamine is CCC1COCCN1C(CN)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanamine?
The InChIKey is JQOQBWZRIATAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-2-10-9-19-7-6-18(10)13(8-17)14-11(15)4-3-5-12(14)16/h3-5,10,13H,2,6-9,17H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanamine?
2-(2-chloro-6-fluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanamine has a molecular weight of 286.78 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 43612940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).