2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]pyrrol-1-amine

C13H13F3N2 — CID 79106688

IUPAC2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]pyrrol-1-amine
SMILESCc1ccc(C)n1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3N2/c1-9-7-8-10(2)18(9)17-12-6-4-3-5-11(12)13(14,15)16/h3-8,17H,1-2H3
InChIKeyNGXPQFDNXOLDKN-UHFFFAOYSA-N
MW254.26 g/mol
LogP4.00
Rot. Bonds2

About 2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]pyrrol-1-amine

2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]pyrrol-1-amine (PubChem CID 79106688) has the molecular formula C13H13F3N2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]pyrrol-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]pyrrol-1-amine
PubChem CID79106688
Molecular FormulaC13H13F3N2
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Name2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]pyrrol-1-amine
SMILESCc1ccc(C)n1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3N2/c1-9-7-8-10(2)18(9)17-12-6-4-3-5-11(12)13(14,15)16/h3-8,17H,1-2H3
InChIKeyNGXPQFDNXOLDKN-UHFFFAOYSA-N
XLogP4.00
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]pyrrol-1-amine 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-chloro-2-[2-(trifluoromethyl)phenyl]hydrazine
CID 175316529
N-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(trifluoromethyl)aniline
CID 17325363
2-methyl-6-N-[(2-methylphenyl)methyl]-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112871745
[2-(trifluoromethyl)phenyl]cyanamide
CID 12503114
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3861159
2,2-dimethyl-3-[2-(trifluoromethyl)anilino]propanoic acid
CID 79629024
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 155291177
(4-methylphenyl)-oxido-[[2-(trifluoromethyl)phenyl]hydrazinylidene]azanium
CID 155292908
1-(1,5-dimethylpyrazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108813241
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(trifluoromethyl)aniline
CID 79241805

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]pyrrol-1-amine?
The IUPAC name of 2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]pyrrol-1-amine (CID 79106688) is 2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]pyrrol-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]pyrrol-1-amine?
The canonical SMILES for 2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]pyrrol-1-amine is Cc1ccc(C)n1Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]pyrrol-1-amine?
The InChIKey is NGXPQFDNXOLDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c1-9-7-8-10(2)18(9)17-12-6-4-3-5-11(12)13(14,15)16/h3-8,17H,1-2H3.
What are the key properties of 2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]pyrrol-1-amine?
2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]pyrrol-1-amine has a molecular weight of 254.26 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]pyrrol-1-amine is sourced from PubChem (CID 79106688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).