N-methyl-1-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine

C11H21F3N2O — CID 106318653

IUPACN-methyl-1-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(CCOCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-10(7-15-2)3-4-16(8-10)5-6-17-9-11(12,13)14/h15H,3-9H2,1-2H3
InChIKeyPXDZUWISEDISRR-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds6

About N-methyl-1-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine

N-methyl-1-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine (PubChem CID 106318653) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine
PubChem CID106318653
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN-methyl-1-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(CCOCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-10(7-15-2)3-4-16(8-10)5-6-17-9-11(12,13)14/h15H,3-9H2,1-2H3
InChIKeyPXDZUWISEDISRR-UHFFFAOYSA-N
XLogP1.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

2-(4,4-dimethylpyrrolidin-2-yl)-N-methyl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 172334555
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-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55056278
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
2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 62256522
N-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 62256559
1-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62536434
3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 62567449
2-methyl-3-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 62990657

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine (CID 106318653) is N-methyl-1-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine is CNCC1(C)CCN(CCOCC(F)(F)F)C1.
What is the InChIKey of N-methyl-1-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine?
The InChIKey is PXDZUWISEDISRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-10(7-15-2)3-4-16(8-10)5-6-17-9-11(12,13)14/h15H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine?
N-methyl-1-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine has a molecular weight of 254.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 106318653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).