2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine

C8H16F3NO — CID 166728027

IUPAC2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCN(C)CC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2)13-5-4-12(3)6-8(9,10)11/h7H,4-6H2,1-3H3
InChIKeyBMDLDWISGOOBKN-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.91
Rot. Bonds5

About 2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine

2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine (PubChem CID 166728027) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine
PubChem CID166728027
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCN(C)CC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2)13-5-4-12(3)6-8(9,10)11/h7H,4-6H2,1-3H3
InChIKeyBMDLDWISGOOBKN-UHFFFAOYSA-N
XLogP1.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-dimethyl-1-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055039
3-bromo-N,2,2-trimethyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 81062792
N-(2-chloroethyl)-2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine
CID 107488954
2-ethyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]butan-1-ol
CID 81074442
2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81057064
2-hydroxy-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81056783
2-methyl-2-(methylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 81065082
(2S)-1-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 103935283
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]ethanol
CID 61072006
ethane;2-[methyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 156795596
3,3,3-trifluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanethioamide
CID 103368794
N-methyl-N',N'-bis[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 140748013

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine (CID 166728027) is 2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine is CC(C)OCCN(C)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine?
The InChIKey is BMDLDWISGOOBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(2)13-5-4-12(3)6-8(9,10)11/h7H,4-6H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine?
2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine has a molecular weight of 199.22 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine is sourced from PubChem (CID 166728027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).