2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline

C12H14F3N — CID 66481146

IUPAC2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline
SMILESC=C(C)CNc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C12H14F3N/c1-8(2)7-16-11-6-10(12(13,14)15)5-4-9(11)3/h4-6,16H,1,7H2,2-3H3
InChIKeySBENRMMPKOGQJG-UHFFFAOYSA-N
MW229.24 g/mol
LogP4.00
Rot. Bonds3

About 2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline

2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline (PubChem CID 66481146) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline
PubChem CID66481146
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline
SMILESC=C(C)CNc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C12H14F3N/c1-8(2)7-16-11-6-10(12(13,14)15)5-4-9(11)3/h4-6,16H,1,7H2,2-3H3
InChIKeySBENRMMPKOGQJG-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline 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

N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline
CID 106437871
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273
2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline
CID 66479743
2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 143016974
N-butan-2-yl-2-[2-methyl-5-(trifluoromethyl)anilino]acetamide
CID 66476966
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480735
2-methyl-N-oxido-5-(trifluoromethyl)aniline
CID 176656270
2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
CID 66475481
2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
CID 115951717
N-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide
CID 66479559

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline (CID 66481146) is 2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline is C=C(C)CNc1cc(C(F)(F)F)ccc1C.
What is the InChIKey of 2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline?
The InChIKey is SBENRMMPKOGQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-8(2)7-16-11-6-10(12(13,14)15)5-4-9(11)3/h4-6,16H,1,7H2,2-3H3.
What are the key properties of 2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline?
2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline has a molecular weight of 229.24 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 66481146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).