N-[(1-methylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C10H19F3N2O — CID 61490349

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCN1CCC(CNCCOCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-15-4-2-9(7-15)6-14-3-5-16-8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyBUPBWESEDMMQIV-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.11
Rot. Bonds6

About N-[(1-methylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(1-methylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 61490349) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID61490349
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCN1CCC(CNCCOCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-15-4-2-9(7-15)6-14-3-5-16-8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyBUPBWESEDMMQIV-UHFFFAOYSA-N
XLogP1.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.11
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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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 61490349) is N-[(1-methylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is CN1CCC(CNCCOCC(F)(F)F)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is BUPBWESEDMMQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-15-4-2-9(7-15)6-14-3-5-16-8-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(1-methylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 240.27 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 61490349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).