2-[3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]ethanamine

C9H17F3N2O — CID 121202682

IUPAC2-[3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]ethanamine
SMILESCOCC1CN(CCN)CC1C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-15-6-7-4-14(3-2-13)5-8(7)9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyCTFQOCXLMBUNPP-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.70
Rot. Bonds4

About 2-[3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]ethanamine

2-[3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]ethanamine (PubChem CID 121202682) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]ethanamine
PubChem CID121202682
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2-[3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]ethanamine
SMILESCOCC1CN(CCN)CC1C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-15-6-7-4-14(3-2-13)5-8(7)9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyCTFQOCXLMBUNPP-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethoxy(difluoro)methyl]-N-methylpyrrolidin-3-amine
CID 166796955
N-(oxolan-3-ylmethyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55090261
N-(oxolan-3-ylmethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55090315
N'-ethyl-N-(oxolan-3-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62553668
N'-methyl-N-(oxolan-3-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62560473
N-(oxolan-3-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 62575080
4,4,4-Trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine
CID 64568824
3,3,3-Trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-amine
CID 64568829
4,4,4-Trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-amine
CID 64569234
1,1,1-Trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-3-amine
CID 64571035
2,2,2-trifluoro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]ethanamine
CID 64581215
2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 64584011

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]ethanamine (CID 121202682) is 2-[3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]ethanamine is COCC1CN(CCN)CC1C(F)(F)F.
What is the InChIKey of 2-[3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]ethanamine?
The InChIKey is CTFQOCXLMBUNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-15-6-7-4-14(3-2-13)5-8(7)9(10,11)12/h7-8H,2-6,13H2,1H3.
What are the key properties of 2-[3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]ethanamine?
2-[3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]ethanamine has a molecular weight of 226.24 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 121202682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).