1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine

C14H19F3N2O — CID 103975773

IUPAC1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(Cc2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C14H19F3N2O/c1-10(18)11-6-7-19(8-11)9-12-4-2-3-5-13(12)20-14(15,16)17/h2-5,10-11H,6-9,18H2,1H3
InChIKeyWFBZENPXXNCNHX-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.75
Rot. Bonds4

About 1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine

1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine (PubChem CID 103975773) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine
PubChem CID103975773
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(Cc2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C14H19F3N2O/c1-10(18)11-6-7-19(8-11)9-12-4-2-3-5-13(12)20-14(15,16)17/h2-5,10-11H,6-9,18H2,1H3
InChIKeyWFBZENPXXNCNHX-UHFFFAOYSA-N
XLogP2.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine (CID 103975773) is 1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(Cc2ccccc2OC(F)(F)F)C1.
What is the InChIKey of 1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is WFBZENPXXNCNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-10(18)11-6-7-19(8-11)9-12-4-2-3-5-13(12)20-14(15,16)17/h2-5,10-11H,6-9,18H2,1H3.
What are the key properties of 1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine?
1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 288.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103975773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).