N-ethyl-N-[[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methyl]ethanamine

C17H25F3N2O — CID 166194807

IUPACN-ethyl-N-[[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methyl]ethanamine
SMILESCCN(CC)CC1CCN(Cc2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C17H25F3N2O/c1-3-21(4-2)11-14-9-10-22(12-14)13-15-7-5-6-8-16(15)23-17(18,19)20/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyAJBZEDXDJJPKRY-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.75
Rot. Bonds7

About N-ethyl-N-[[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methyl]ethanamine

N-ethyl-N-[[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 166194807) has the molecular formula C17H25F3N2O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-ethyl-N-[[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methyl]ethanamine
PubChem CID166194807
Molecular FormulaC17H25F3N2O
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC NameN-ethyl-N-[[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methyl]ethanamine
SMILESCCN(CC)CC1CCN(Cc2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C17H25F3N2O/c1-3-21(4-2)11-14-9-10-22(12-14)13-15-7-5-6-8-16(15)23-17(18,19)20/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyAJBZEDXDJJPKRY-UHFFFAOYSA-N
XLogP3.75
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975773
1-methyl-4-[[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methyl]piperazine
CID 77088709
(1R,5S)-6-methyl-3-[[2-(trifluoromethoxy)phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 77080098
(3aR,6aS)-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120661033
3-(bromomethyl)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 104794921
N-ethyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine
CID 24879001
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
2-methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111848068
(3R,4S)-3-hydroxy-4-propyl-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxylic acid
CID 135110194
[1-[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]triazol-4-yl]methanamine
CID 30957595
4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 65065655
(9aR)-2-[[2-(trifluoromethoxy)phenyl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 98743088

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methyl]ethanamine (CID 166194807) is N-ethyl-N-[[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methyl]ethanamine is CCN(CC)CC1CCN(Cc2ccccc2OC(F)(F)F)C1.
What is the InChIKey of N-ethyl-N-[[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is AJBZEDXDJJPKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O/c1-3-21(4-2)11-14-9-10-22(12-14)13-15-7-5-6-8-16(15)23-17(18,19)20/h5-8,14H,3-4,9-13H2,1-2H3.
What are the key properties of N-ethyl-N-[[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methyl]ethanamine?
N-ethyl-N-[[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 330.39 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 166194807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).