N-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]aniline

C13H11F3N2 — CID 151559909

IUPACN-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]aniline
SMILESCNc1ccc(-c2ccnc(C(F)(F)F)c2)cc1
InChIInChI=1S/C13H11F3N2/c1-17-11-4-2-9(3-5-11)10-6-7-18-12(8-10)13(14,15)16/h2-8,17H,1H3
InChIKeyQCGDJKRQTPUNIF-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.81
Rot. Bonds2

About N-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]aniline

N-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]aniline (PubChem CID 151559909) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is N-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]aniline
PubChem CID151559909
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC NameN-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]aniline
SMILESCNc1ccc(-c2ccnc(C(F)(F)F)c2)cc1
InChIInChI=1S/C13H11F3N2/c1-17-11-4-2-9(3-5-11)10-6-7-18-12(8-10)13(14,15)16/h2-8,17H,1H3
InChIKeyQCGDJKRQTPUNIF-UHFFFAOYSA-N
XLogP3.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(furan-2-yl)-2-(trifluoromethyl)pyridine
CID 90317774
N-methyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-amine
CID 175103216
4-fluoro-2-(trifluoromethyl)pyridine
CID 44891496
N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine
CID 10944517
1-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridine
CID 166366462
4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine
CID 132551111
N-methyl-4-pyrimidin-2-ylaniline
CID 59619192
2-(trifluoromethyl)pyridin-4-amine
CID 10261388
4-pyrimidin-5-yl-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]benzamide
CID 89468197
N-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide
CID 114270139
3,4-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrol-3-amine
CID 162589954
4-(1-deuterioimidazol-4-yl)-2-(trifluoromethyl)pyridine
CID 175891499

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]aniline?
The IUPAC name of N-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]aniline (CID 151559909) is N-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]aniline.
What is the SMILES notation for N-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]aniline?
The canonical SMILES for N-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]aniline is CNc1ccc(-c2ccnc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]aniline?
The InChIKey is QCGDJKRQTPUNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c1-17-11-4-2-9(3-5-11)10-6-7-18-12(8-10)13(14,15)16/h2-8,17H,1H3.
What are the key properties of N-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]aniline?
N-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]aniline has a molecular weight of 252.24 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]aniline is sourced from PubChem (CID 151559909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).