N-[(4-methyloxan-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C11H20F3NO2 — CID 104585892

IUPACN-[(4-methyloxan-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC1(CNCCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C11H20F3NO2/c1-10(2-5-16-6-3-10)8-15-4-7-17-9-11(12,13)14/h15H,2-9H2,1H3
InChIKeyXQJPUZOBUGDYEJ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.97
Rot. Bonds6

About N-[(4-methyloxan-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(4-methyloxan-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 104585892) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID104585892
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC1(CNCCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C11H20F3NO2/c1-10(2-5-16-6-3-10)8-15-4-7-17-9-11(12,13)14/h15H,2-9H2,1H3
InChIKeyXQJPUZOBUGDYEJ-UHFFFAOYSA-N
XLogP1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,5-difluoro-N-(2-methylpropyl)oxan-3-amine
CID 176977083
N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066332
N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55066529
2-(oxan-4-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55092895
2,2-diethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55106897
2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55111205
N-(2-methoxyethyl)-3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 55111767
N-(oxan-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55226813
N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 62390964
N-ethyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoroethanamine
CID 62390969
N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62390970
N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62391149

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 104585892) is N-[(4-methyloxan-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is CC1(CNCCOCC(F)(F)F)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is XQJPUZOBUGDYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-10(2-5-16-6-3-10)8-15-4-7-17-9-11(12,13)14/h15H,2-9H2,1H3.
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(4-methyloxan-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 255.28 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 104585892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).