N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C11H21F3N2O — CID 54961701

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCN1CCC(CNCCOCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-2-16-5-3-10(8-16)7-15-4-6-17-9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyIAZSLSZKZUEHLL-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds7

About N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 54961701) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID54961701
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCN1CCC(CNCCOCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-2-16-5-3-10(8-16)7-15-4-6-17-9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyIAZSLSZKZUEHLL-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
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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Related Compounds

CID 17389989
CID 17389989
CID 169692672
CID 169692672
CID 172334745
CID 172334745
CID 172334802
CID 172334802
CID 172335531
CID 172335531
CID 54961645
CID 54961645
CID 54961802
CID 54961802
CID 54961953
CID 54961953
CID 54961971
CID 54961971
CID 54961972
CID 54961972
CID 55092665
CID 55092665
CID 55201545
CID 55201545

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 54961701) is N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is CCN1CCC(CNCCOCC(F)(F)F)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is IAZSLSZKZUEHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-2-16-5-3-10(8-16)7-15-4-6-17-9-11(12,13)14/h10,15H,2-9H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 254.30 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 54961701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).