N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

C5H10F3NO — CID 58685072

IUPACN-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNCCOCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-9-2-3-10-4-5(6,7)8/h9H,2-4H2,1H3
InChIKeyATCUGNZLEILVFK-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.78
Rot. Bonds4

About N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 58685072) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID58685072
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC NameN-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNCCOCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-9-2-3-10-4-5(6,7)8/h9H,2-4H2,1H3
InChIKeyATCUGNZLEILVFK-UHFFFAOYSA-N
XLogP0.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethoxy-N-methylethanamine
CID 18324766
(2-Methoxyethyl)(methyl)amine
CID 300977
(2-Ethoxyethyl)(ethyl)amine
CID 520890
2-(2,2,2-Trifluoroethoxy)ethanamine
CID 2060297
(2-Methoxyethyl)(3,3,3-trifluoropropyl)amine
CID 59028600
N-Methyl-[2-(trifluoromethoxy)ethyl]amine hydrochloride
CID 117588089
[2-(Difluoromethoxy)ethyl](methyl)amine hydrochloride
CID 138542985
(2-Methoxyethyl)(2,2,2-trifluoroethyl)amine hydrochloride
CID 47002376
(2,2-Difluoroethyl)(2-methoxyethyl)amine hydrochloride
CID 47003170
Methyl(1,1,1-trifluoro-3-methoxypropan-2-yl)amine hydrochloride
CID 75480536
2-(2,2,2-Trifluoroethoxy)ethylazanium
CID 2060296
(2-Methoxy-ethyl)-(2,2,2-trifluoro-ethyl)-amine
CID 6504212

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 58685072) is N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is CNCCOCC(F)(F)F.
What is the InChIKey of N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is ATCUGNZLEILVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-9-2-3-10-4-5(6,7)8/h9H,2-4H2,1H3.
What are the key properties of N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 157.13 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 58685072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).