N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine

C9H17F3N2O — CID 106614013

IUPACN-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine
SMILESCN(CCOC(F)(F)F)CC1CCCN1
InChIInChI=1S/C9H17F3N2O/c1-14(5-6-15-9(10,11)12)7-8-3-2-4-13-8/h8,13H,2-7H2,1H3
InChIKeyZMNDQNUXGXDNEU-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.21
Rot. Bonds5

About N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine

N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine (PubChem CID 106614013) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine
PubChem CID106614013
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC NameN-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine
SMILESCN(CCOC(F)(F)F)CC1CCCN1
InChIInChI=1S/C9H17F3N2O/c1-14(5-6-15-9(10,11)12)7-8-3-2-4-13-8/h8,13H,2-7H2,1H3
InChIKeyZMNDQNUXGXDNEU-UHFFFAOYSA-N
XLogP1.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Methoxyethyl)(methyl)((pyrrolidin-2-yl)methyl)amine
CID 50989303
N'-methyl-N-propan-2-yl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
CID 65805213
N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
CID 65805830
1-(1,1,1-Trifluoro-3-methoxypropan-2-yl)pyrrolidin-3-amine;dihydrochloride
CID 89189154
3-[(3,3-Difluoropyrrolidin-1-yl)methyl]morpholine
CID 116991609
2-[[1-(1,1,1-Trifluoropropan-2-yl)pyrrolidin-3-yl]amino]ethanol
CID 117709661
2-[3-(difluoromethoxy)pyrrolidin-1-yl]-N-methylethanamine
CID 145131539
(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]morpholine
CID 155100855
1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propan-2-amine
CID 166795986
ethane;formamide;N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 168883599
1,1,1-Trifluoro-3-[(2-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]propan-2-ol
CID 172205616
ethane;2-(trifluoromethoxy)-N-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 172334266

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine?
The IUPAC name of N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine (CID 106614013) is N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine.
What is the SMILES notation for N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine?
The canonical SMILES for N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine is CN(CCOC(F)(F)F)CC1CCCN1.
What is the InChIKey of N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine?
The InChIKey is ZMNDQNUXGXDNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-14(5-6-15-9(10,11)12)7-8-3-2-4-13-8/h8,13H,2-7H2,1H3.
What are the key properties of N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine?
N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine has a molecular weight of 226.24 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine is sourced from PubChem (CID 106614013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).