2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride

C11H22ClF3N2O — CID 120899398

IUPAC2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
SMILESCOCCN(CC(F)(F)F)CC1(C)CCNC1.Cl
InChIInChI=1S/C11H21F3N2O.ClH/c1-10(3-4-15-7-10)8-16(5-6-17-2)9-11(12,13)14;/h15H,3-9H2,1-2H3;1H
InChIKeyCKMCVNVEFIMBIL-UHFFFAOYSA-N
MW290.76 g/mol
LogP1.92
Rot. Bonds6

About 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride

2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride (PubChem CID 120899398) has the molecular formula C11H22ClF3N2O and a molecular weight of 290.76 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
PubChem CID120899398
Molecular FormulaC11H22ClF3N2O
Molecular Weight290.76 g/mol
Exact Mass290.14
IUPAC Name2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
SMILESCOCCN(CC(F)(F)F)CC1(C)CCNC1.Cl
InChIInChI=1S/C11H21F3N2O.ClH/c1-10(3-4-15-7-10)8-16(5-6-17-2)9-11(12,13)14;/h15H,3-9H2,1-2H3;1H
InChIKeyCKMCVNVEFIMBIL-UHFFFAOYSA-N
XLogP1.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.76
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride (CID 120899398) is 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride is COCCN(CC(F)(F)F)CC1(C)CCNC1.Cl.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride?
The InChIKey is CKMCVNVEFIMBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O.ClH/c1-10(3-4-15-7-10)8-16(5-6-17-2)9-11(12,13)14;/h15H,3-9H2,1-2H3;1H.
What are the key properties of 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride?
2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride has a molecular weight of 290.76 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 120899398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).