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

C10H19F3N2O — CID 106318773

IUPACN-methyl-1-[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(CCOC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-9(7-14-2)3-4-15(8-9)5-6-16-10(11,12)13/h14H,3-8H2,1-2H3
InChIKeyCFHOCFMQGANGLI-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.45
Rot. Bonds5

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

N-methyl-1-[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-3-yl]methanamine (PubChem CID 106318773) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-3-yl]methanamine
PubChem CID106318773
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC NameN-methyl-1-[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(CCOC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-9(7-14-2)3-4-15(8-9)5-6-16-10(11,12)13/h14H,3-8H2,1-2H3
InChIKeyCFHOCFMQGANGLI-UHFFFAOYSA-N
XLogP1.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethylpyrrolidin-2-yl)-N-methyl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 172334534
2-(4,4-dimethylpyrrolidin-2-yl)-N-methyl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 172334555
2-[(3S)-3-(trifluoromethoxy)butan-2-yl]-2,7-diazaspiro[3.4]octane
CID 173834425
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 54961701
N-[(1-methylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490349
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61895863
[1-[2-(2,2,2-Trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063436
1-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62536434
2-methyl-3-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 62990657
3-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 62991559
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 63267698
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 63828247

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-3-yl]methanamine (CID 106318773) is N-methyl-1-[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-3-yl]methanamine is CNCC1(C)CCN(CCOC(F)(F)F)C1.
What is the InChIKey of N-methyl-1-[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-3-yl]methanamine?
The InChIKey is CFHOCFMQGANGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9(7-14-2)3-4-15(8-9)5-6-16-10(11,12)13/h14H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-3-yl]methanamine?
N-methyl-1-[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-3-yl]methanamine has a molecular weight of 240.27 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 106318773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).