2-methyl-4-propan-2-yl-N-(trifluoromethyl)aniline

C11H14F3N — CID 162581899

IUPAC2-methyl-4-propan-2-yl-N-(trifluoromethyl)aniline
SMILESCc1cc(C(C)C)ccc1NC(F)(F)F
InChIInChI=1S/C11H14F3N/c1-7(2)9-4-5-10(8(3)6-9)15-11(12,13)14/h4-7,15H,1-3H3
InChIKeyVFMDWTUQHMZTIY-UHFFFAOYSA-N
MW217.23 g/mol
LogP4.05
Rot. Bonds2

About 2-methyl-4-propan-2-yl-N-(trifluoromethyl)aniline

2-methyl-4-propan-2-yl-N-(trifluoromethyl)aniline (PubChem CID 162581899) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-N-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-N-(trifluoromethyl)aniline
PubChem CID162581899
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name2-methyl-4-propan-2-yl-N-(trifluoromethyl)aniline
SMILESCc1cc(C(C)C)ccc1NC(F)(F)F
InChIInChI=1S/C11H14F3N/c1-7(2)9-4-5-10(8(3)6-9)15-11(12,13)14/h4-7,15H,1-3H3
InChIKeyVFMDWTUQHMZTIY-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
2-(1,1-difluoro-2-methylpropyl)-1-methyl-4-propan-2-ylbenzene
CID 116841440
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
2-fluoro-N-methyl-4-propan-2-ylaniline
CID 58786905
ethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide
CID 156850007
1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 164997099
N-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
CID 53403796
(2-methyl-5-propan-2-ylphenyl)hydrazine;hydrochloride
CID 155977870
4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43101529
(2-fluoro-4-propan-2-ylphenyl)hydrazine;hydrochloride
CID 138473582
N-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline
CID 144857612
1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene
CID 81005193

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-N-(trifluoromethyl)aniline?
The IUPAC name of 2-methyl-4-propan-2-yl-N-(trifluoromethyl)aniline (CID 162581899) is 2-methyl-4-propan-2-yl-N-(trifluoromethyl)aniline.
What is the SMILES notation for 2-methyl-4-propan-2-yl-N-(trifluoromethyl)aniline?
The canonical SMILES for 2-methyl-4-propan-2-yl-N-(trifluoromethyl)aniline is Cc1cc(C(C)C)ccc1NC(F)(F)F.
What is the InChIKey of 2-methyl-4-propan-2-yl-N-(trifluoromethyl)aniline?
The InChIKey is VFMDWTUQHMZTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-7(2)9-4-5-10(8(3)6-9)15-11(12,13)14/h4-7,15H,1-3H3.
What are the key properties of 2-methyl-4-propan-2-yl-N-(trifluoromethyl)aniline?
2-methyl-4-propan-2-yl-N-(trifluoromethyl)aniline has a molecular weight of 217.23 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-N-(trifluoromethyl)aniline is sourced from PubChem (CID 162581899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).