N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline

C12H16F3NO — CID 20786166

IUPACN-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline
SMILESCC(C)(C)CNc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-11(2,3)8-16-9-5-4-6-10(7-9)17-12(13,14)15/h4-7,16H,8H2,1-3H3
InChIKeyWDHWKOKYWAMGAB-UHFFFAOYSA-N
MW247.26 g/mol
LogP4.04
Rot. Bonds3

About N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline

N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline (PubChem CID 20786166) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline
PubChem CID20786166
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC NameN-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline
SMILESCC(C)(C)CNc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-11(2,3)8-16-9-5-4-6-10(7-9)17-12(13,14)15/h4-7,16H,8H2,1-3H3
InChIKeyWDHWKOKYWAMGAB-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

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Related Compounds

N-(2,2-dimethylpropyl)-4-(trifluoromethoxy)aniline
CID 20786173
N-(4-methoxybutyl)-3-(trifluoromethoxy)aniline
CID 112701030
N-methyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586079
N-(2,2-diethoxyethyl)-3-(trifluoromethoxy)aniline
CID 70246305
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
N-ethyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586058
N-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethoxy)aniline
CID 103409365
N-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethoxy)aniline
CID 62345950
N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586045
N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethoxy)aniline
CID 66398939
1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine
CID 19351987
1-N,3-N-bis(2,2-dimethylpropyl)benzene-1,3-diamine;bis(trimethylalumane)
CID 16685522

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline?
The IUPAC name of N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline (CID 20786166) is N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline is CC(C)(C)CNc1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline?
The InChIKey is WDHWKOKYWAMGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-11(2,3)8-16-9-5-4-6-10(7-9)17-12(13,14)15/h4-7,16H,8H2,1-3H3.
What are the key properties of N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline?
N-(2,2-dimethylpropyl)-3-(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)-3-(trifluoromethoxy)aniline is sourced from PubChem (CID 20786166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).