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

C8H11F3N2 — CID 154656339

IUPACN-methyl-2-[3-(trifluoromethyl)pyrrol-1-yl]ethanamine
SMILESCNCCn1ccc(C(F)(F)F)c1
InChIInChI=1S/C8H11F3N2/c1-12-3-5-13-4-2-7(6-13)8(9,10)11/h2,4,6,12H,3,5H2,1H3
InChIKeyJXDKDLKZAATVPR-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.73
Rot. Bonds3

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

N-methyl-2-[3-(trifluoromethyl)pyrrol-1-yl]ethanamine (PubChem CID 154656339) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is N-methyl-2-[3-(trifluoromethyl)pyrrol-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-(trifluoromethyl)pyrrol-1-yl]ethanamine
PubChem CID154656339
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC NameN-methyl-2-[3-(trifluoromethyl)pyrrol-1-yl]ethanamine
SMILESCNCCn1ccc(C(F)(F)F)c1
InChIInChI=1S/C8H11F3N2/c1-12-3-5-13-4-2-7(6-13)8(9,10)11/h2,4,6,12H,3,5H2,1H3
InChIKeyJXDKDLKZAATVPR-UHFFFAOYSA-N
XLogP1.73
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(trifluoromethyl)pyrrol-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[3-(trifluoromethyl)pyrrol-1-yl]ethanamine (CID 154656339) is N-methyl-2-[3-(trifluoromethyl)pyrrol-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[3-(trifluoromethyl)pyrrol-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[3-(trifluoromethyl)pyrrol-1-yl]ethanamine is CNCCn1ccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-2-[3-(trifluoromethyl)pyrrol-1-yl]ethanamine?
The InChIKey is JXDKDLKZAATVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-12-3-5-13-4-2-7(6-13)8(9,10)11/h2,4,6,12H,3,5H2,1H3.
What are the key properties of N-methyl-2-[3-(trifluoromethyl)pyrrol-1-yl]ethanamine?
N-methyl-2-[3-(trifluoromethyl)pyrrol-1-yl]ethanamine has a molecular weight of 192.18 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(trifluoromethyl)pyrrol-1-yl]ethanamine is sourced from PubChem (CID 154656339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).