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

C12H19F3N2O — CID 63828718

IUPAC2-(2,2,2-trifluoroethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
SMILESCc1cc(CNCCOCC(F)(F)F)c(C)n1C
InChIInChI=1S/C12H19F3N2O/c1-9-6-11(10(2)17(9)3)7-16-4-5-18-8-12(13,14)15/h6,16H,4-5,7-8H2,1-3H3
InChIKeyPZBMAWRJVDJURI-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.31
Rot. Bonds6

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

2-(2,2,2-trifluoroethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine (PubChem CID 63828718) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
PubChem CID63828718
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name2-(2,2,2-trifluoroethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
SMILESCc1cc(CNCCOCC(F)(F)F)c(C)n1C
InChIInChI=1S/C12H19F3N2O/c1-9-6-11(10(2)17(9)3)7-16-4-5-18-8-12(13,14)15/h6,16H,4-5,7-8H2,1-3H3
InChIKeyPZBMAWRJVDJURI-UHFFFAOYSA-N
XLogP2.31
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2,2,2-trifluoroethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine (CID 63828718) is 2-(2,2,2-trifluoroethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine is Cc1cc(CNCCOCC(F)(F)F)c(C)n1C.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is PZBMAWRJVDJURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-9-6-11(10(2)17(9)3)7-16-4-5-18-8-12(13,14)15/h6,16H,4-5,7-8H2,1-3H3.
What are the key properties of 2-(2,2,2-trifluoroethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
2-(2,2,2-trifluoroethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 264.29 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 63828718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).