4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine

C14H13F4N3 — CID 106747467

IUPAC4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCC(Nc1cc(C(F)(F)F)ncc1N)c1ccc(F)cc1
InChIInChI=1S/C14H13F4N3/c1-8(9-2-4-10(15)5-3-9)21-12-6-13(14(16,17)18)20-7-11(12)19/h2-8H,19H2,1H3,(H,20,21)
InChIKeyVMSBRAIYDRLFIH-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.99
Rot. Bonds3

About 4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747467) has the molecular formula C14H13F4N3 and a molecular weight of 299.27 g/mol. Its IUPAC name is 4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747467
Molecular FormulaC14H13F4N3
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCC(Nc1cc(C(F)(F)F)ncc1N)c1ccc(F)cc1
InChIInChI=1S/C14H13F4N3/c1-8(9-2-4-10(15)5-3-9)21-12-6-13(14(16,17)18)20-7-11(12)19/h2-8H,19H2,1H3,(H,20,21)
InChIKeyVMSBRAIYDRLFIH-UHFFFAOYSA-N
XLogP3.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine 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-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747303
4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106387726
4-N-[1-(4-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54965311
4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747145
4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol
CID 106748001
4-fluoro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 106217155
4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747446
2-N-[1-(4-bromophenyl)ethyl]-4-fluorobenzene-1,2-diamine
CID 55068059
3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol
CID 106748077
N-[1-(4-iodophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82812139
6-(trifluoromethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-3,4-diamine
CID 106747202
N-(1-pyridin-4-ylethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82812363

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747467) is 4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine is CC(Nc1cc(C(F)(F)F)ncc1N)c1ccc(F)cc1.
What is the InChIKey of 4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is VMSBRAIYDRLFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3/c1-8(9-2-4-10(15)5-3-9)21-12-6-13(14(16,17)18)20-7-11(12)19/h2-8H,19H2,1H3,(H,20,21).
What are the key properties of 4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 299.27 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).