4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine

C15H16F3N3 — CID 106747375

IUPAC4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCCN(c1cccc(C)c1)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C15H16F3N3/c1-3-21(11-6-4-5-10(2)7-11)13-8-14(15(16,17)18)20-9-12(13)19/h4-9H,3,19H2,1-2H3
InChIKeyZAVLAVFTRRPDIM-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.15
Rot. Bonds3

About 4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747375) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747375
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCCN(c1cccc(C)c1)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C15H16F3N3/c1-3-21(11-6-4-5-10(2)7-11)13-8-14(15(16,17)18)20-9-12(13)19/h4-9H,3,19H2,1-2H3
InChIKeyZAVLAVFTRRPDIM-UHFFFAOYSA-N
XLogP4.15
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-ethyl-3-N-(3-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28818283
1-N-ethyl-1-N-(3-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 63402660
4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine
CID 113367563
4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747622
2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 115554643
4-amino-3-(N-ethyl-3-methylanilino)benzamide
CID 63355886
4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747324
2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796498
4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747617
ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline
CID 142266780
3-(aminomethyl)-N-ethyl-2,6-dimethyl-N-(3-methylphenyl)pyridin-4-amine
CID 81050456
4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747535

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747375) is 4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine is CCN(c1cccc(C)c1)c1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is ZAVLAVFTRRPDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-3-21(11-6-4-5-10(2)7-11)13-8-14(15(16,17)18)20-9-12(13)19/h4-9H,3,19H2,1-2H3.
What are the key properties of 4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 295.31 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).