N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methylpyridin-3-amine

C14H12F4N2 — CID 103824022

IUPACN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methylpyridin-3-amine
SMILESCc1cncc(NCc2ccc(F)cc2C(F)(F)F)c1
InChIInChI=1S/C14H12F4N2/c1-9-4-12(8-19-6-9)20-7-10-2-3-11(15)5-13(10)14(16,17)18/h2-6,8,20H,7H2,1H3
InChIKeyROYOKCLCXZNLTD-UHFFFAOYSA-N
MW284.26 g/mol
LogP4.16
Rot. Bonds3

About N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methylpyridin-3-amine

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methylpyridin-3-amine (PubChem CID 103824022) has the molecular formula C14H12F4N2 and a molecular weight of 284.26 g/mol. Its IUPAC name is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methylpyridin-3-amine
PubChem CID103824022
Molecular FormulaC14H12F4N2
Molecular Weight284.26 g/mol
Exact Mass284.09
IUPAC NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methylpyridin-3-amine
SMILESCc1cncc(NCc2ccc(F)cc2C(F)(F)F)c1
InChIInChI=1S/C14H12F4N2/c1-9-4-12(8-19-6-9)20-7-10-2-3-11(15)5-13(10)14(16,17)18/h2-6,8,20H,7H2,1H3
InChIKeyROYOKCLCXZNLTD-UHFFFAOYSA-N
XLogP4.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-5-methylphenyl)methyl]-5-methylpyridin-3-amine
CID 103824043
N-[(2,3-difluorophenyl)methyl]-5-methylpyridin-3-amine
CID 113278289
5-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 115748884
2,6-dibromo-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline
CID 107597623
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 86782852
6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine
CID 114059939
5-methoxy-2-[[(5-methyl-3-pyridinyl)amino]methyl]phenol
CID 103824039
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
CID 103952707
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol
CID 78927299
4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline
CID 102880807
5-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine
CID 103824113
N-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine
CID 103845205

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methylpyridin-3-amine?
The IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methylpyridin-3-amine (CID 103824022) is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methylpyridin-3-amine.
What is the SMILES notation for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methylpyridin-3-amine?
The canonical SMILES for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methylpyridin-3-amine is Cc1cncc(NCc2ccc(F)cc2C(F)(F)F)c1.
What is the InChIKey of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methylpyridin-3-amine?
The InChIKey is ROYOKCLCXZNLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2/c1-9-4-12(8-19-6-9)20-7-10-2-3-11(15)5-13(10)14(16,17)18/h2-6,8,20H,7H2,1H3.
What are the key properties of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methylpyridin-3-amine?
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methylpyridin-3-amine has a molecular weight of 284.26 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methylpyridin-3-amine is sourced from PubChem (CID 103824022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).