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

C9H17F3N2O — CID 102784485

IUPAC[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanamine
SMILESCC1CCN(CCOC(F)(F)F)C1CN
InChIInChI=1S/C9H17F3N2O/c1-7-2-3-14(8(7)6-13)4-5-15-9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyAJSRRZDRCQCFIZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.19
Rot. Bonds4

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

[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanamine (PubChem CID 102784485) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is [3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanamine
PubChem CID102784485
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanamine
SMILESCC1CCN(CCOC(F)(F)F)C1CN
InChIInChI=1S/C9H17F3N2O/c1-7-2-3-14(8(7)6-13)4-5-15-9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyAJSRRZDRCQCFIZ-UHFFFAOYSA-N
XLogP1.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 106614013
N-[(3-ethyl-3-methylpyrrolidin-2-yl)methyl]ethanamine;trifluoromethoxyethane
CID 168883457
ethane;2-(trifluoromethoxy)-N-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 172334266
2-[Methyl-[[4-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 172334324
N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 172334325
N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-methyloxetan-3-amine
CID 172334495
N-[(4,4-difluoropyrrolidin-2-yl)methyl]-N-methyloxetan-3-amine
CID 172334537
N-methyl-2-(trifluoromethoxy)-N-[[4-(trifluoromethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 172334571
N-ethyl-2-(trifluoromethoxy)-N-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 172334627
2-[Methyl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 172334699
N-methyl-2-(4-methylpyrrolidin-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 172334745
N-methyl-N-[2-(trifluoromethoxy)ethyl]-2-[4-(trifluoromethyl)pyrrolidin-2-yl]ethanamine
CID 172334802

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanamine (CID 102784485) is [3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanamine is CC1CCN(CCOC(F)(F)F)C1CN.
What is the InChIKey of [3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanamine?
The InChIKey is AJSRRZDRCQCFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-7-2-3-14(8(7)6-13)4-5-15-9(10,11)12/h7-8H,2-6,13H2,1H3.
What are the key properties of [3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanamine?
[3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanamine has a molecular weight of 226.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 102784485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).