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

C10H20F2N2O — CID 120967316

IUPAC[1-[2-(2,2-difluoroethoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(CCOCC(F)F)C1
InChIInChI=1S/C10H20F2N2O/c1-10(7-13)2-3-14(8-10)4-5-15-6-9(11)12/h9H,2-8,13H2,1H3
InChIKeySIUIEPCMWBMBOB-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.94
Rot. Bonds6

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

[1-[2-(2,2-difluoroethoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 120967316) has the molecular formula C10H20F2N2O and a molecular weight of 222.28 g/mol. Its IUPAC name is [1-[2-(2,2-difluoroethoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2,2-difluoroethoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine
PubChem CID120967316
Molecular FormulaC10H20F2N2O
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name[1-[2-(2,2-difluoroethoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(CCOCC(F)F)C1
InChIInChI=1S/C10H20F2N2O/c1-10(7-13)2-3-14(8-10)4-5-15-6-9(11)12/h9H,2-8,13H2,1H3
InChIKeySIUIEPCMWBMBOB-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

N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 54961701
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55056230
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
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 62256035
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 62257566
2-methyl-3-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 62990657
3-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 62991559
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 63267698
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 63828247
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 63828423

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,2-difluoroethoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[2-(2,2-difluoroethoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine (CID 120967316) is [1-[2-(2,2-difluoroethoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[2-(2,2-difluoroethoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[2-(2,2-difluoroethoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine is CC1(CN)CCN(CCOCC(F)F)C1.
What is the InChIKey of [1-[2-(2,2-difluoroethoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is SIUIEPCMWBMBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O/c1-10(7-13)2-3-14(8-10)4-5-15-6-9(11)12/h9H,2-8,13H2,1H3.
What are the key properties of [1-[2-(2,2-difluoroethoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine?
[1-[2-(2,2-difluoroethoxy)ethyl]-3-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]-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120967316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).