1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine

C8H11F3N2 — CID 55298010

IUPAC1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine
SMILESCC(N)c1cn(C)cc1C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-5(12)6-3-13(2)4-7(6)8(9,10)11/h3-5H,12H2,1-2H3
InChIKeyYMVXICCNEWZSQA-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.06
Rot. Bonds1

About 1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine

1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine (PubChem CID 55298010) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine
PubChem CID55298010
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine
SMILESCC(N)c1cn(C)cc1C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-5(12)6-3-13(2)4-7(6)8(9,10)11/h3-5H,12H2,1-2H3
InChIKeyYMVXICCNEWZSQA-UHFFFAOYSA-N
XLogP2.06
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

3,4-Diethylpyrrole
CID 10909563
3-ethyl-4-methyl-1H-pyrrole
CID 10877070
1-Methyl-2-(1-pentyl-1H-pyrrol-3-yl)-ethylamine
CID 14739643
2,2,2-trifluoro-1-(1-methyl-1H-pyrrol-3-yl)ethan-1-amine
CID 71695547
1-(1-methyl-1H-pyrrol-3-yl)ethan-1-amine
CID 22891637
1-Methyl-2-(1-propyl-1H-pyrrol-3-yl)-ethylamine
CID 14739640
3-Ethyl-4-(trifluoromethyl)-1H-pyrrole
CID 14238364
1H-Pyrrole, 1-butyl-3-ethyl-4-propyl-
CID 10583941
3-tert-butyl-4-(trifluoromethyl)-1H-pyrrole
CID 58486424
3-Tert-butyl-1-methyl-4-(trifluoromethyl)pyrrole
CID 59073063
3-pentyl-4-(trifluoromethyl)-1H-pyrrole
CID 67809160
3-Tert-butyl-1-(2,2-difluoroethyl)pyrrole
CID 68354220

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine?
The IUPAC name of 1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine (CID 55298010) is 1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine?
The canonical SMILES for 1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine is CC(N)c1cn(C)cc1C(F)(F)F.
What is the InChIKey of 1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine?
The InChIKey is YMVXICCNEWZSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-5(12)6-3-13(2)4-7(6)8(9,10)11/h3-5H,12H2,1-2H3.
What are the key properties of 1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine?
1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine has a molecular weight of 192.18 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine is sourced from PubChem (CID 55298010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).