2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyridin-3-amine

C12H17F3N2 — CID 153310708

IUPAC2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyridin-3-amine
SMILESCN(C)c1cc(C(F)(F)F)cnc1C(C)(C)C
InChIInChI=1S/C12H17F3N2/c1-11(2,3)10-9(17(4)5)6-8(7-16-10)12(13,14)15/h6-7H,1-5H3
InChIKeyPGHSGKRAGFOGNX-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.46
Rot. Bonds1

About 2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyridin-3-amine

2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 153310708) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyridin-3-amine
PubChem CID153310708
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyridin-3-amine
SMILESCN(C)c1cc(C(F)(F)F)cnc1C(C)(C)C
InChIInChI=1S/C12H17F3N2/c1-11(2,3)10-9(17(4)5)6-8(7-16-10)12(13,14)15/h6-7H,1-5H3
InChIKeyPGHSGKRAGFOGNX-UHFFFAOYSA-N
XLogP3.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767
3-bromo-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 22000225
3-N,3-N-bis(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28818239
N,N-dimethyl-5-(trifluoromethyl)pyridazin-3-amine
CID 133062497
3-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)aniline
CID 59709261
3-N-tert-butyl-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28818128
2-tert-butyl-3-fluoro-5-(2-iodopropan-2-yl)pyridine
CID 155296746
3-(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)pyridine
CID 165350362
2,5-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 119013467
3-iodo-2-methyl-5-(trifluoromethyl)pyridine
CID 84715472
3-bromo-N-ethyl-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 163894256
(2,5-ditert-butyl-3-pyridinyl)methanol
CID 153429822

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyridin-3-amine (CID 153310708) is 2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyridin-3-amine is CN(C)c1cc(C(F)(F)F)cnc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is PGHSGKRAGFOGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-11(2,3)10-9(17(4)5)6-8(7-16-10)12(13,14)15/h6-7H,1-5H3.
What are the key properties of 2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyridin-3-amine?
2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 246.28 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 153310708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).