N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]ethanamine

C10H15F3N2O — CID 79098656

IUPACN-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]ethanamine
SMILESCNC(C)c1ccn(CCOC(F)(F)F)c1
InChIInChI=1S/C10H15F3N2O/c1-8(14-2)9-3-4-15(7-9)5-6-16-10(11,12)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyOEUHJBRIVTWUNI-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.30
Rot. Bonds5

About N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]ethanamine

N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]ethanamine (PubChem CID 79098656) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]ethanamine
PubChem CID79098656
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC NameN-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]ethanamine
SMILESCNC(C)c1ccn(CCOC(F)(F)F)c1
InChIInChI=1S/C10H15F3N2O/c1-8(14-2)9-3-4-15(7-9)5-6-16-10(11,12)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyOEUHJBRIVTWUNI-UHFFFAOYSA-N
XLogP2.30
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]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

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]ethanamine (CID 79098656) is N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]ethanamine is CNC(C)c1ccn(CCOC(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]ethanamine?
The InChIKey is OEUHJBRIVTWUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-8(14-2)9-3-4-15(7-9)5-6-16-10(11,12)13/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]ethanamine?
N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]ethanamine has a molecular weight of 236.24 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]ethanamine is sourced from PubChem (CID 79098656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).