3-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)aniline

C13H18F3N — CID 59709261

IUPAC3-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)aniline
SMILESCN(C)c1cc(C(C)(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3N/c1-12(2,3)9-6-10(13(14,15)16)8-11(7-9)17(4)5/h6-8H,1-5H3
InChIKeyYFPSGCGYYFLTRB-UHFFFAOYSA-N
MW245.29 g/mol
LogP4.07
Rot. Bonds1

About 3-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)aniline

3-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)aniline (PubChem CID 59709261) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)aniline
PubChem CID59709261
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name3-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)aniline
SMILESCN(C)c1cc(C(C)(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3N/c1-12(2,3)9-6-10(13(14,15)16)8-11(7-9)17(4)5/h6-8H,1-5H3
InChIKeyYFPSGCGYYFLTRB-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)aniline?
The IUPAC name of 3-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)aniline (CID 59709261) is 3-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)aniline is CN(C)c1cc(C(C)(C)C)cc(C(F)(F)F)c1.
What is the InChIKey of 3-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)aniline?
The InChIKey is YFPSGCGYYFLTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-12(2,3)9-6-10(13(14,15)16)8-11(7-9)17(4)5/h6-8H,1-5H3.
What are the key properties of 3-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)aniline?
3-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)aniline has a molecular weight of 245.29 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 59709261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).