2,2-difluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine

C11H22F2N2O — CID 120899727

IUPAC2,2-difluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
SMILESCOCCN(CC(F)F)CC1(C)CCNC1
InChIInChI=1S/C11H22F2N2O/c1-11(3-4-14-8-11)9-15(5-6-16-2)7-10(12)13/h10,14H,3-9H2,1-2H3
InChIKeyYPGQPLKHSJFYLW-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.20
Rot. Bonds7

About 2,2-difluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine

2,2-difluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 120899727) has the molecular formula C11H22F2N2O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID120899727
Molecular FormulaC11H22F2N2O
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC Name2,2-difluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
SMILESCOCCN(CC(F)F)CC1(C)CCNC1
InChIInChI=1S/C11H22F2N2O/c1-11(3-4-14-8-11)9-15(5-6-16-2)7-10(12)13/h10,14H,3-9H2,1-2H3
InChIKeyYPGQPLKHSJFYLW-UHFFFAOYSA-N
XLogP1.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethylpyrrolidin-2-yl)-N-methyl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 172334534
2-(4,4-dimethylpyrrolidin-2-yl)-N-methyl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 172334555
N-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N-methyl-2-(trifluoromethoxy)ethanamine
CID 172335079
N-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N-methyl-2-(trifluoromethoxy)ethanamine;ethane
CID 172335403
N-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-2-(trifluoromethoxy)ethanamine;ethane
CID 172335455
N-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-2-(trifluoromethoxy)ethanamine
CID 172335456
2-[(3S)-3-(trifluoromethoxy)butan-2-yl]-2,7-diazaspiro[3.4]octane
CID 173834425
N,N,2,2-tetramethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 54961645
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 54961701
N-[(1-methylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490349
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61895863
[1-[2-(2,2,2-Trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063436

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine (CID 120899727) is 2,2-difluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine is COCCN(CC(F)F)CC1(C)CCNC1.
What is the InChIKey of 2,2-difluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is YPGQPLKHSJFYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O/c1-11(3-4-14-8-11)9-15(5-6-16-2)7-10(12)13/h10,14H,3-9H2,1-2H3.
What are the key properties of 2,2-difluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine?
2,2-difluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 236.31 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 120899727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).