N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C11H21F3N2O — CID 54962062

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCN1CCCC1CNCCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-2-16-6-3-4-10(16)8-15-5-7-17-9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyCLJUSRWMZIZDNJ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.64
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 54962062) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID54962062
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCN1CCCC1CNCCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-2-16-6-3-4-10(16)8-15-5-7-17-9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyCLJUSRWMZIZDNJ-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 54962062) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is CCN1CCCC1CNCCOCC(F)(F)F.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is CLJUSRWMZIZDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-2-16-6-3-4-10(16)8-15-5-7-17-9-11(12,13)14/h10,15H,2-9H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 254.30 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 54962062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).