2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine

C9H13F3N2 — CID 115258110

IUPAC2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine
SMILESCN(CCc1ccc[nH]1)CC(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-14(7-9(10,11)12)6-4-8-3-2-5-13-8/h2-3,5,13H,4,6-7H2,1H3
InChIKeyYYQODNJBLGNIOA-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.05
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine

2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine (PubChem CID 115258110) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine
PubChem CID115258110
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine
SMILESCN(CCc1ccc[nH]1)CC(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-14(7-9(10,11)12)6-4-8-3-2-5-13-8/h2-3,5,13H,4,6-7H2,1H3
InChIKeyYYQODNJBLGNIOA-UHFFFAOYSA-N
XLogP2.05
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]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

1-N,3-dimethyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine
CID 115200886
1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine
CID 115196941
N',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine
CID 115205056
methyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide
CID 117043502
3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115153081
1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine
CID 115133017
N-methyl-4-[[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]methyl]cyclohexan-1-amine
CID 115213747
3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115162696
1-N,4-N-dimethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]benzene-1,4-diamine
CID 117041478
N-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine
CID 115211459
4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide
CID 115156814
4-fluoro-2-N-methyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]benzene-1,2-diamine
CID 115124214

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine (CID 115258110) is 2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine is CN(CCc1ccc[nH]1)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine?
The InChIKey is YYQODNJBLGNIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-14(7-9(10,11)12)6-4-8-3-2-5-13-8/h2-3,5,13H,4,6-7H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine?
2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine has a molecular weight of 206.21 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 115258110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).