N-(2,2-dimethylpropyl)-2-(trifluoromethoxy)aniline

C12H16F3NO — CID 61323899

IUPACN-(2,2-dimethylpropyl)-2-(trifluoromethoxy)aniline
SMILESCC(C)(C)CNc1ccccc1OC(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-11(2,3)8-16-9-6-4-5-7-10(9)17-12(13,14)15/h4-7,16H,8H2,1-3H3
InChIKeyUXALPAITIITSTC-UHFFFAOYSA-N
MW247.26 g/mol
LogP4.04
Rot. Bonds3

About N-(2,2-dimethylpropyl)-2-(trifluoromethoxy)aniline

N-(2,2-dimethylpropyl)-2-(trifluoromethoxy)aniline (PubChem CID 61323899) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(trifluoromethoxy)aniline
PubChem CID61323899
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC NameN-(2,2-dimethylpropyl)-2-(trifluoromethoxy)aniline
SMILESCC(C)(C)CNc1ccccc1OC(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-11(2,3)8-16-9-6-4-5-7-10(9)17-12(13,14)15/h4-7,16H,8H2,1-3H3
InChIKeyUXALPAITIITSTC-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,2-dimethylpropyl)-2-(trifluoromethoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(trifluoromethoxy)aniline?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(trifluoromethoxy)aniline (CID 61323899) is N-(2,2-dimethylpropyl)-2-(trifluoromethoxy)aniline.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(trifluoromethoxy)aniline?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(trifluoromethoxy)aniline is CC(C)(C)CNc1ccccc1OC(F)(F)F.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(trifluoromethoxy)aniline?
The InChIKey is UXALPAITIITSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-11(2,3)8-16-9-6-4-5-7-10(9)17-12(13,14)15/h4-7,16H,8H2,1-3H3.
What are the key properties of N-(2,2-dimethylpropyl)-2-(trifluoromethoxy)aniline?
N-(2,2-dimethylpropyl)-2-(trifluoromethoxy)aniline has a molecular weight of 247.26 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 61323899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).