[6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine

C10H19F3N2O2 — CID 102938817

IUPAC[6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine
SMILESCC1CN(CCOCC(F)(F)F)CC(CN)O1
InChIInChI=1S/C10H19F3N2O2/c1-8-5-15(6-9(4-14)17-8)2-3-16-7-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyQPMASNOBSXEIQG-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.61
Rot. Bonds5

About [6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine

[6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine (PubChem CID 102938817) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is [6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine
PubChem CID102938817
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name[6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine
SMILESCC1CN(CCOCC(F)(F)F)CC(CN)O1
InChIInChI=1S/C10H19F3N2O2/c1-8-5-15(6-9(4-14)17-8)2-3-16-7-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyQPMASNOBSXEIQG-UHFFFAOYSA-N
XLogP0.61
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(3-methoxypropoxy)ethyl]-6-methylmorpholin-2-yl]methanamine
CID 103184117
[4-(3-ethoxypropyl)-6-methylmorpholin-2-yl]methanamine
CID 112512036
(6-methyl-4-octylmorpholin-2-yl)methanamine
CID 102938785
2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]ethanol
CID 102934999
[6-methyl-4-[2-(oxolan-2-yl)ethyl]morpholin-2-yl]methanamine
CID 102938890
[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
CID 113365437
(2S,6R)-4-(2-methoxyethyl)-2,6-dimethylmorpholine
CID 89016342
2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
CID 47811029
[(2S,6S)-4-(5-fluoropentyl)-6-methylmorpholin-2-yl]methanol
CID 124842414
2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
CID 63762470
(3S,4S)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120953724
2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine
CID 102936556

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine?
The IUPAC name of [6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine (CID 102938817) is [6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine?
The canonical SMILES for [6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine is CC1CN(CCOCC(F)(F)F)CC(CN)O1.
What is the InChIKey of [6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine?
The InChIKey is QPMASNOBSXEIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-8-5-15(6-9(4-14)17-8)2-3-16-7-10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of [6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine?
[6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine has a molecular weight of 256.27 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 102938817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).