2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine

C17H27FN2O — CID 105374147

IUPAC2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
SMILESCCCN1CCOC(C(Cc2cc(F)ccc2C)NC)C1
InChIInChI=1S/C17H27FN2O/c1-4-7-20-8-9-21-17(12-20)16(19-3)11-14-10-15(18)6-5-13(14)2/h5-6,10,16-17,19H,4,7-9,11-12H2,1-3H3
InChIKeyFFTZIDSLBLFSGK-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.38
Rot. Bonds6

About 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine

2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine (PubChem CID 105374147) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
PubChem CID105374147
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
SMILESCCCN1CCOC(C(Cc2cc(F)ccc2C)NC)C1
InChIInChI=1S/C17H27FN2O/c1-4-7-20-8-9-21-17(12-20)16(19-3)11-14-10-15(18)6-5-13(14)2/h5-6,10,16-17,19H,4,7-9,11-12H2,1-3H3
InChIKeyFFTZIDSLBLFSGK-UHFFFAOYSA-N
XLogP2.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348139
2-(2,6-difluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
CID 114932414
2-(4-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol
CID 114347522
[(5-fluoro-2-methylphenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247795
2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
CID 79657785
2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 79668869
N-methyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine
CID 79657546
N-ethyl-2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanamine
CID 79663996
2-(2,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79664038
2-(2-bromo-4-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol
CID 79668703
[2-(2-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethyl]hydrazine
CID 105247853
2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 79667132

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine (CID 105374147) is 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine is CCCN1CCOC(C(Cc2cc(F)ccc2C)NC)C1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine?
The InChIKey is FFTZIDSLBLFSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-7-20-8-9-21-17(12-20)16(19-3)11-14-10-15(18)6-5-13(14)2/h5-6,10,16-17,19H,4,7-9,11-12H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine?
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine has a molecular weight of 294.41 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 105374147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).