2,2,2-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine

C10H15F3N2 — CID 62473648

IUPAC2,2,2-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
SMILESCc1cc(CNCC(F)(F)F)c(C)n1C
InChIInChI=1S/C10H15F3N2/c1-7-4-9(8(2)15(7)3)5-14-6-10(11,12)13/h4,14H,5-6H2,1-3H3
InChIKeyUSGILZHRAGJDFP-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.29
Rot. Bonds3

About 2,2,2-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine (PubChem CID 62473648) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
PubChem CID62473648
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name2,2,2-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
SMILESCc1cc(CNCC(F)(F)F)c(C)n1C
InChIInChI=1S/C10H15F3N2/c1-7-4-9(8(2)15(7)3)5-14-6-10(11,12)13/h4,14H,5-6H2,1-3H3
InChIKeyUSGILZHRAGJDFP-UHFFFAOYSA-N
XLogP2.29
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine (CID 62473648) is 2,2,2-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine is Cc1cc(CNCC(F)(F)F)c(C)n1C.
What is the InChIKey of 2,2,2-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is USGILZHRAGJDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-7-4-9(8(2)15(7)3)5-14-6-10(11,12)13/h4,14H,5-6H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 220.24 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 62473648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).