1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine

C16H25FN2O — CID 114348139

IUPAC1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCCN1CCOC(C(Cc2ccc(F)cc2C)NC)C1
InChIInChI=1S/C16H25FN2O/c1-4-19-7-8-20-16(11-19)15(18-3)10-13-5-6-14(17)9-12(13)2/h5-6,9,15-16,18H,4,7-8,10-11H2,1-3H3
InChIKeyWCNGDFOHIFPDAX-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.99
Rot. Bonds5

About 1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine

1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine (PubChem CID 114348139) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
PubChem CID114348139
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCCN1CCOC(C(Cc2ccc(F)cc2C)NC)C1
InChIInChI=1S/C16H25FN2O/c1-4-19-7-8-20-16(11-19)15(18-3)10-13-5-6-14(17)9-12(13)2/h5-6,9,15-16,18H,4,7-8,10-11H2,1-3H3
InChIKeyWCNGDFOHIFPDAX-UHFFFAOYSA-N
XLogP1.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
CID 105374147
2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 79668869
2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 79667132
2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 79709065
2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 103040274
2-(4-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol
CID 114347522
(4-ethylmorpholin-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 79666863
N-ethyl-1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethanamine
CID 79668876
1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347306
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine
CID 114856460
2-(2,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79664038
N-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 79665908

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine (CID 114348139) is 1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine is CCN1CCOC(C(Cc2ccc(F)cc2C)NC)C1.
What is the InChIKey of 1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
The InChIKey is WCNGDFOHIFPDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-19-7-8-20-16(11-19)15(18-3)10-13-5-6-14(17)9-12(13)2/h5-6,9,15-16,18H,4,7-8,10-11H2,1-3H3.
What are the key properties of 1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine has a molecular weight of 280.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 114348139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).