3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline

C12H15ClF3N — CID 116699062

IUPAC3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline
SMILESCC(C)(C)CNc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C12H15ClF3N/c1-11(2,3)7-17-10-5-8(12(14,15)16)4-9(13)6-10/h4-6,17H,7H2,1-3H3
InChIKeyUTIXRAFFMNPBBA-UHFFFAOYSA-N
MW265.71 g/mol
LogP4.82
Rot. Bonds2

About 3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline

3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline (PubChem CID 116699062) has the molecular formula C12H15ClF3N and a molecular weight of 265.71 g/mol. Its IUPAC name is 3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline
PubChem CID116699062
Molecular FormulaC12H15ClF3N
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC Name3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline
SMILESCC(C)(C)CNc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C12H15ClF3N/c1-11(2,3)7-17-10-5-8(12(14,15)16)4-9(13)6-10/h4-6,17H,7H2,1-3H3
InChIKeyUTIXRAFFMNPBBA-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-chloro-5-(trifluoromethyl)anilino]acetonitrile
CID 116699571
3-chloro-N-nonyl-5-(trifluoromethyl)aniline
CID 116699553
4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol
CID 116699478
3-chloro-N-methyl-5-(trifluoromethyl)aniline;ethane
CID 144857976
N-but-3-ynyl-3-chloro-5-(trifluoromethyl)aniline
CID 116699368
3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 104921789
N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 116700910
3-chloro-N-(3,3-diethoxypropyl)-5-(trifluoromethyl)aniline
CID 116699508
3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline
CID 116699074
3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 116699138
4-[3-chloro-5-(trifluoromethyl)anilino]butanenitrile
CID 116699505
3-chloro-N-[2-(3-methoxypropoxy)ethyl]-5-(trifluoromethyl)aniline
CID 103179547

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline?
The IUPAC name of 3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline (CID 116699062) is 3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline is CC(C)(C)CNc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline?
The InChIKey is UTIXRAFFMNPBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N/c1-11(2,3)7-17-10-5-8(12(14,15)16)4-9(13)6-10/h4-6,17H,7H2,1-3H3.
What are the key properties of 3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline?
3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline has a molecular weight of 265.71 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 116699062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).