N-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline

C14H20F3N — CID 59479747

IUPACN-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline
SMILESCC(C)N(c1cccc(C(F)(F)F)c1)C(C)(C)C
InChIInChI=1S/C14H20F3N/c1-10(2)18(13(3,4)5)12-8-6-7-11(9-12)14(15,16)17/h6-10H,1-5H3
InChIKeyLSKNZAZJGZGUCJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.72
Rot. Bonds2

About N-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline

N-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline (PubChem CID 59479747) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline
PubChem CID59479747
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline
SMILESCC(C)N(c1cccc(C(F)(F)F)c1)C(C)(C)C
InChIInChI=1S/C14H20F3N/c1-10(2)18(13(3,4)5)12-8-6-7-11(9-12)14(15,16)17/h6-10H,1-5H3
InChIKeyLSKNZAZJGZGUCJ-UHFFFAOYSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)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-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline?
The IUPAC name of N-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline (CID 59479747) is N-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline?
The canonical SMILES for N-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline is CC(C)N(c1cccc(C(F)(F)F)c1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline?
The InChIKey is LSKNZAZJGZGUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-10(2)18(13(3,4)5)12-8-6-7-11(9-12)14(15,16)17/h6-10H,1-5H3.
What are the key properties of N-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline?
N-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline has a molecular weight of 259.31 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 59479747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).