N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C9H17F3N2O — CID 106638477

IUPACN-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCC1CCCN1
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)7-15-5-4-13-6-8-2-1-3-14-8/h8,13-14H,1-7H2
InChIKeyNZAYBXAWAKLJGU-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.91
Rot. Bonds6

About N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 106638477) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID106638477
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC NameN-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCC1CCCN1
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)7-15-5-4-13-6-8-2-1-3-14-8/h8,13-14H,1-7H2
InChIKeyNZAYBXAWAKLJGU-UHFFFAOYSA-N
XLogP0.91
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106633835
1-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide
CID 63827272
3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636763
2-(2,2,2-trifluoroethoxymethyl)piperidine
CID 24702991
N-(azepan-2-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 113327737
N-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209753
N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490796
2-cyclohexyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106633611
2-pyrrolidin-2-yl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone
CID 119752121
3-phenoxy-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106638318
N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine
CID 174304939
2-(4,4,4-trifluorobutoxymethyl)pyrrolidine
CID 115514545

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 106638477) is N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCC1CCCN1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is NZAYBXAWAKLJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c10-9(11,12)7-15-5-4-13-6-8-2-1-3-14-8/h8,13-14H,1-7H2.
What are the key properties of N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 226.24 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 106638477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).