2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine

C16H24ClFN2O — CID 114856460

IUPAC2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)C1CN(CC)CCO1
InChIInChI=1S/C16H24ClFN2O/c1-3-19-15(16-11-20(4-2)7-8-21-16)9-12-5-6-13(17)10-14(12)18/h5-6,10,15-16,19H,3-4,7-9,11H2,1-2H3
InChIKeyHCEBWASYAALCNW-UHFFFAOYSA-N
MW314.83 g/mol
LogP2.72
Rot. Bonds6

About 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine

2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine (PubChem CID 114856460) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine
PubChem CID114856460
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)C1CN(CC)CCO1
InChIInChI=1S/C16H24ClFN2O/c1-3-19-15(16-11-20(4-2)7-8-21-16)9-12-5-6-13(17)10-14(12)18/h5-6,10,15-16,19H,3-4,7-9,11H2,1-2H3
InChIKeyHCEBWASYAALCNW-UHFFFAOYSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethanamine
CID 79668876
2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 103040274
2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 79667132
1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348139
N-ethyl-1-(4-ethylmorpholin-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824289
N-ethyl-1-(4-ethylmorpholin-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050180
N-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 79665908
N-ethyl-1-(4-ethylmorpholin-2-yl)-4-methylpentan-1-amine
CID 79669723
N-ethyl-2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanamine
CID 79663996
[2-(2,6-difluorophenyl)-1-(4-ethylmorpholin-2-yl)ethyl]hydrazine
CID 105247727
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanamine
CID 79664229
N-ethyl-1-(4-ethylmorpholin-2-yl)pent-3-yn-1-amine
CID 79668802

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine (CID 114856460) is 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine is CCNC(Cc1ccc(Cl)cc1F)C1CN(CC)CCO1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine?
The InChIKey is HCEBWASYAALCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2O/c1-3-19-15(16-11-20(4-2)7-8-21-16)9-12-5-6-13(17)10-14(12)18/h5-6,10,15-16,19H,3-4,7-9,11H2,1-2H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine?
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine has a molecular weight of 314.83 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 114856460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).