(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine

C14H12F4N2 — CID 102708046

IUPAC(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCc1cc(C(N)c2cnccc2C(F)(F)F)ccc1F
InChIInChI=1S/C14H12F4N2/c1-8-6-9(2-3-12(8)15)13(19)10-7-20-5-4-11(10)14(16,17)18/h2-7,13H,19H2,1H3
InChIKeyPPSOBTOUKOSWNR-UHFFFAOYSA-N
MW284.26 g/mol
LogP3.60
Rot. Bonds2

About (4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine

(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 102708046) has the molecular formula C14H12F4N2 and a molecular weight of 284.26 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID102708046
Molecular FormulaC14H12F4N2
Molecular Weight284.26 g/mol
Exact Mass284.09
IUPAC Name(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCc1cc(C(N)c2cnccc2C(F)(F)F)ccc1F
InChIInChI=1S/C14H12F4N2/c1-8-6-9(2-3-12(8)15)13(19)10-7-20-5-4-11(10)14(16,17)18/h2-7,13H,19H2,1H3
InChIKeyPPSOBTOUKOSWNR-UHFFFAOYSA-N
XLogP3.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine 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

(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102707952
(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708429
(2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710062
3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline
CID 102709954
[(3,4-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710524
(4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106848731
(5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708383
(4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707423
(4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine
CID 66272704
(4-fluoro-3-methylphenyl)-pyrimidin-4-ylmethanamine
CID 63989151
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710002

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of (4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 102708046) is (4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for (4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is Cc1cc(C(N)c2cnccc2C(F)(F)F)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is PPSOBTOUKOSWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2/c1-8-6-9(2-3-12(8)15)13(19)10-7-20-5-4-11(10)14(16,17)18/h2-7,13H,19H2,1H3.
What are the key properties of (4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 284.26 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102708046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).