N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoro-N-methylethanamine

C7H15F3N2O — CID 79478927

IUPACN-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(CCOCCN)CC(F)(F)F
InChIInChI=1S/C7H15F3N2O/c1-12(6-7(8,9)10)3-5-13-4-2-11/h2-6,11H2,1H3
InChIKeyOUODKQUKFOBUNW-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.46
Rot. Bonds6

About N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoro-N-methylethanamine

N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 79478927) has the molecular formula C7H15F3N2O and a molecular weight of 200.20 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID79478927
Molecular FormulaC7H15F3N2O
Molecular Weight200.20 g/mol
Exact Mass200.11
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(CCOCCN)CC(F)(F)F
InChIInChI=1S/C7H15F3N2O/c1-12(6-7(8,9)10)3-5-13-4-2-11/h2-6,11H2,1H3
InChIKeyOUODKQUKFOBUNW-UHFFFAOYSA-N
XLogP0.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.46
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoro-N-methylethanamine (CID 79478927) is N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoro-N-methylethanamine is CN(CCOCCN)CC(F)(F)F.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is OUODKQUKFOBUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O/c1-12(6-7(8,9)10)3-5-13-4-2-11/h2-6,11H2,1H3.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoro-N-methylethanamine?
N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 200.20 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 79478927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).