[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine

C10H20F2N2O — CID 120966626

IUPAC[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1CCOCC(F)F
InChIInChI=1S/C10H20F2N2O/c1-8-4-9(5-13)6-14(8)2-3-15-7-10(11)12/h8-10H,2-7,13H2,1H3
InChIKeyOWYYJVTVRPYXHO-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.94
Rot. Bonds6

About [1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine

[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine (PubChem CID 120966626) has the molecular formula C10H20F2N2O and a molecular weight of 222.28 g/mol. Its IUPAC name is [1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
PubChem CID120966626
Molecular FormulaC10H20F2N2O
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1CCOCC(F)F
InChIInChI=1S/C10H20F2N2O/c1-8-4-9(5-13)6-14(8)2-3-15-7-10(11)12/h8-10H,2-7,13H2,1H3
InChIKeyOWYYJVTVRPYXHO-UHFFFAOYSA-N
XLogP0.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.94
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

[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120966625
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine
CID 130892102
(5-methyl-1-propylpyrrolidin-3-yl)methanamine
CID 115486103
(2R,5S)-1-[2-(2,2-difluoroethoxy)ethyl]-2,5-dimethyl-4-methylsulfonylpiperazine
CID 129434741
[1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486226
6-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine
CID 106455836
[5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 115486200
[1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486318
[1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486086
[1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine
CID 115486246
2-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 102977708
(5-methyl-1-pent-4-enylpyrrolidin-3-yl)methanamine
CID 115486286

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine (CID 120966626) is [1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine is CC1CC(CN)CN1CCOCC(F)F.
What is the InChIKey of [1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine?
The InChIKey is OWYYJVTVRPYXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O/c1-8-4-9(5-13)6-14(8)2-3-15-7-10(11)12/h8-10H,2-7,13H2,1H3.
What are the key properties of [1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine?
[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine has a molecular weight of 222.28 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120966626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).