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

C9H19F3N2O2 — CID 167469598

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(CCOCCOCCN)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O2/c1-14(8-9(10,11)12)3-5-16-7-6-15-4-2-13/h2-8,13H2,1H3
InChIKeyNZEXMYNZKKTBME-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.47
Rot. Bonds9

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

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 167469598) has the molecular formula C9H19F3N2O2 and a molecular weight of 244.26 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID167469598
Molecular FormulaC9H19F3N2O2
Molecular Weight244.26 g/mol
Exact Mass244.14
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(CCOCCOCCN)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O2/c1-14(8-9(10,11)12)3-5-16-7-6-15-4-2-13/h2-8,13H2,1H3
InChIKeyNZEXMYNZKKTBME-UHFFFAOYSA-N
XLogP0.47
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.47
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

Fluorocryptand
CID 129777004
N-ethyl-2,2,2-trifluoro-N-[2-(2-methoxyethoxy)ethyl]ethanamine
CID 57680063
N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoro-N-methylethanamine
CID 79478927
N'-methyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]butane-1,4-diamine
CID 134276360
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoroethanamine
CID 135213114
N-[2-[2-[2-(tert-butylamino)-2,2-difluoroethoxy]-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine
CID 138467557
1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine
CID 155582675
ethane;1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine
CID 155706892
N-[2-(2-butoxyethoxy)ethyl]-1,2,2,2-tetrafluoroethanamine
CID 155740875
2,2,2-trifluoro-1-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,1-diamine
CID 155751803
N-[2-[2-(2-amino-2,2-difluoroethoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine
CID 156047433
2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine
CID 157155082

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoro-N-methylethanamine (CID 167469598) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoro-N-methylethanamine is CN(CCOCCOCCN)CC(F)(F)F.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is NZEXMYNZKKTBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O2/c1-14(8-9(10,11)12)3-5-16-7-6-15-4-2-13/h2-8,13H2,1H3.
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoro-N-methylethanamine?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 244.26 g/mol, XLogP of 0.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 167469598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).