2-[4-methyl-2-(trifluoromethyl)phenyl]pyridin-3-amine

C13H11F3N2 — CID 158171851

IUPAC2-[4-methyl-2-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESCc1ccc(-c2ncccc2N)c(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2/c1-8-4-5-9(10(7-8)13(14,15)16)12-11(17)3-2-6-18-12/h2-7H,17H2,1H3
InChIKeyFXNWEMKVDILAMD-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.66
Rot. Bonds1

About 2-[4-methyl-2-(trifluoromethyl)phenyl]pyridin-3-amine

2-[4-methyl-2-(trifluoromethyl)phenyl]pyridin-3-amine (PubChem CID 158171851) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-[4-methyl-2-(trifluoromethyl)phenyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[4-methyl-2-(trifluoromethyl)phenyl]pyridin-3-amine
PubChem CID158171851
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name2-[4-methyl-2-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESCc1ccc(-c2ncccc2N)c(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2/c1-8-4-5-9(10(7-8)13(14,15)16)12-11(17)3-2-6-18-12/h2-7H,17H2,1H3
InChIKeyFXNWEMKVDILAMD-UHFFFAOYSA-N
XLogP3.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(trifluoromethyl)aniline
CID 2737710
2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine
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1-(2-fluoro-4-methylphenyl)-4-methyl-2-(trifluoromethyl)benzene
CID 20744040
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline
CID 107289642
5-[4-methyl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
CID 174633891
2-(2-fluoro-4,6-dimethylphenyl)pyridin-3-amine
CID 106882203
2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 118847520
2-(3-chloro-2-methylphenyl)pyridin-3-amine
CID 82393115
2-methyl-3-(trifluoromethyl)pyridine
CID 14761443
4-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol
CID 154216867
1-(cyclobuten-1-yl)-4-methyl-2-(trifluoromethyl)benzene
CID 159168162

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(trifluoromethyl)phenyl]pyridin-3-amine?
The IUPAC name of 2-[4-methyl-2-(trifluoromethyl)phenyl]pyridin-3-amine (CID 158171851) is 2-[4-methyl-2-(trifluoromethyl)phenyl]pyridin-3-amine.
What is the SMILES notation for 2-[4-methyl-2-(trifluoromethyl)phenyl]pyridin-3-amine?
The canonical SMILES for 2-[4-methyl-2-(trifluoromethyl)phenyl]pyridin-3-amine is Cc1ccc(-c2ncccc2N)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-methyl-2-(trifluoromethyl)phenyl]pyridin-3-amine?
The InChIKey is FXNWEMKVDILAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c1-8-4-5-9(10(7-8)13(14,15)16)12-11(17)3-2-6-18-12/h2-7H,17H2,1H3.
What are the key properties of 2-[4-methyl-2-(trifluoromethyl)phenyl]pyridin-3-amine?
2-[4-methyl-2-(trifluoromethyl)phenyl]pyridin-3-amine has a molecular weight of 252.24 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(trifluoromethyl)phenyl]pyridin-3-amine is sourced from PubChem (CID 158171851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).