3-tert-butyl-N-methyl-5-(trifluoromethyl)aniline

C12H16F3N — CID 131522513

IUPAC3-tert-butyl-N-methyl-5-(trifluoromethyl)aniline
SMILESCNc1cc(C(C)(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3N/c1-11(2,3)8-5-9(12(13,14)15)7-10(6-8)16-4/h5-7,16H,1-4H3
InChIKeyAXTMQVXCIISCKV-UHFFFAOYSA-N
MW231.26 g/mol
LogP4.04
Rot. Bonds1

About 3-tert-butyl-N-methyl-5-(trifluoromethyl)aniline

3-tert-butyl-N-methyl-5-(trifluoromethyl)aniline (PubChem CID 131522513) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-tert-butyl-N-methyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-tert-butyl-N-methyl-5-(trifluoromethyl)aniline
PubChem CID131522513
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name3-tert-butyl-N-methyl-5-(trifluoromethyl)aniline
SMILESCNc1cc(C(C)(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3N/c1-11(2,3)8-5-9(12(13,14)15)7-10(6-8)16-4/h5-7,16H,1-4H3
InChIKeyAXTMQVXCIISCKV-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-methyl-5-(trifluoromethyl)aniline;ethane
CID 144857976
N-methyl-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)aniline
CID 165351005
N-[3-tert-butyl-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 118028245
1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene
CID 22975209
3-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)aniline
CID 59709261
3-cyclopropyl-N-methyl-5-(trifluoromethyl)aniline
CID 123932964
1-tert-butyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene
CID 139378807
N,N'-bis[3,5-bis(trifluoromethyl)phenyl]propane-1,3-diamine
CID 18328560
N-tert-butyl-3-methyl-5-(trifluoromethyl)aniline
CID 118333519
N-ethenyl-3,5-bis(trifluoromethyl)aniline
CID 163887176
1-tert-butyl-3-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 165377879
N-[[3,5-bis(trifluoromethyl)anilino]-dimethylsilyl]-3,5-bis(trifluoromethyl)aniline
CID 18328539

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-methyl-5-(trifluoromethyl)aniline?
The IUPAC name of 3-tert-butyl-N-methyl-5-(trifluoromethyl)aniline (CID 131522513) is 3-tert-butyl-N-methyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-tert-butyl-N-methyl-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-tert-butyl-N-methyl-5-(trifluoromethyl)aniline is CNc1cc(C(C)(C)C)cc(C(F)(F)F)c1.
What is the InChIKey of 3-tert-butyl-N-methyl-5-(trifluoromethyl)aniline?
The InChIKey is AXTMQVXCIISCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-11(2,3)8-5-9(12(13,14)15)7-10(6-8)16-4/h5-7,16H,1-4H3.
What are the key properties of 3-tert-butyl-N-methyl-5-(trifluoromethyl)aniline?
3-tert-butyl-N-methyl-5-(trifluoromethyl)aniline has a molecular weight of 231.26 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-methyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 131522513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).