4-methyl-3-[2-methyl-2-[4-(trifluoromethyl)anilino]propyl]-N-propan-2-ylaniline

C21H27F3N2 — CID 155249750

IUPAC4-methyl-3-[2-methyl-2-[4-(trifluoromethyl)anilino]propyl]-N-propan-2-ylaniline
SMILESCc1ccc(NC(C)C)cc1CC(C)(C)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H27F3N2/c1-14(2)25-19-9-6-15(3)16(12-19)13-20(4,5)26-18-10-7-17(8-11-18)21(22,23)24/h6-12,14,25-26H,13H2,1-5H3
InChIKeyGWHKJBJVBRHTMJ-UHFFFAOYSA-N
MW364.46 g/mol
LogP6.27
Rot. Bonds6

About 4-methyl-3-[2-methyl-2-[4-(trifluoromethyl)anilino]propyl]-N-propan-2-ylaniline

4-methyl-3-[2-methyl-2-[4-(trifluoromethyl)anilino]propyl]-N-propan-2-ylaniline (PubChem CID 155249750) has the molecular formula C21H27F3N2 and a molecular weight of 364.46 g/mol. Its IUPAC name is 4-methyl-3-[2-methyl-2-[4-(trifluoromethyl)anilino]propyl]-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-methyl-3-[2-methyl-2-[4-(trifluoromethyl)anilino]propyl]-N-propan-2-ylaniline
PubChem CID155249750
Molecular FormulaC21H27F3N2
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC Name4-methyl-3-[2-methyl-2-[4-(trifluoromethyl)anilino]propyl]-N-propan-2-ylaniline
SMILESCc1ccc(NC(C)C)cc1CC(C)(C)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H27F3N2/c1-14(2)25-19-9-6-15(3)16(12-19)13-20(4,5)26-18-10-7-17(8-11-18)21(22,23)24/h6-12,14,25-26H,13H2,1-5H3
InChIKeyGWHKJBJVBRHTMJ-UHFFFAOYSA-N
XLogP6.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.46
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-3-[2-methyl-2-[4-(trifluoromethyl)anilino]propyl]-N-propan-2-ylaniline 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-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107070
4-(trifluoromethyl)-N-(2,5,5-trimethylhexan-3-yl)aniline
CID 59205123
N-(1-chloro-3-methylbutan-2-yl)-4-(trifluoromethyl)aniline
CID 23160674
(2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine
CID 70970416
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 102754125
N-(2,3-dimethylbutyl)-4-(trifluoromethyl)aniline
CID 64597564
2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline
CID 66481332
2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline
CID 66478753
N-(4-chloropentyl)-4-(trifluoromethyl)aniline
CID 106124677
3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43764409
4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112854627
N-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline
CID 62646330

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-methyl-2-[4-(trifluoromethyl)anilino]propyl]-N-propan-2-ylaniline?
The IUPAC name of 4-methyl-3-[2-methyl-2-[4-(trifluoromethyl)anilino]propyl]-N-propan-2-ylaniline (CID 155249750) is 4-methyl-3-[2-methyl-2-[4-(trifluoromethyl)anilino]propyl]-N-propan-2-ylaniline.
What is the SMILES notation for 4-methyl-3-[2-methyl-2-[4-(trifluoromethyl)anilino]propyl]-N-propan-2-ylaniline?
The canonical SMILES for 4-methyl-3-[2-methyl-2-[4-(trifluoromethyl)anilino]propyl]-N-propan-2-ylaniline is Cc1ccc(NC(C)C)cc1CC(C)(C)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-3-[2-methyl-2-[4-(trifluoromethyl)anilino]propyl]-N-propan-2-ylaniline?
The InChIKey is GWHKJBJVBRHTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2/c1-14(2)25-19-9-6-15(3)16(12-19)13-20(4,5)26-18-10-7-17(8-11-18)21(22,23)24/h6-12,14,25-26H,13H2,1-5H3.
What are the key properties of 4-methyl-3-[2-methyl-2-[4-(trifluoromethyl)anilino]propyl]-N-propan-2-ylaniline?
4-methyl-3-[2-methyl-2-[4-(trifluoromethyl)anilino]propyl]-N-propan-2-ylaniline has a molecular weight of 364.46 g/mol, XLogP of 6.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-methyl-2-[4-(trifluoromethyl)anilino]propyl]-N-propan-2-ylaniline is sourced from PubChem (CID 155249750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).