3-N-ethyl-3-N-(3-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine

C15H16F3N3 — CID 28818283

IUPAC3-N-ethyl-3-N-(3-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESCCN(c1cccc(C)c1)c1cc(C(F)(F)F)cnc1N
InChIInChI=1S/C15H16F3N3/c1-3-21(12-6-4-5-10(2)7-12)13-8-11(15(16,17)18)9-20-14(13)19/h4-9H,3H2,1-2H3,(H2,19,20)
InChIKeyOSZYDDJLRRJEDJ-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.15
Rot. Bonds3

About 3-N-ethyl-3-N-(3-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine

3-N-ethyl-3-N-(3-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 28818283) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(3-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(3-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine
PubChem CID28818283
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name3-N-ethyl-3-N-(3-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESCCN(c1cccc(C)c1)c1cc(C(F)(F)F)cnc1N
InChIInChI=1S/C15H16F3N3/c1-3-21(12-6-4-5-10(2)7-12)13-8-11(15(16,17)18)9-20-14(13)19/h4-9H,3H2,1-2H3,(H2,19,20)
InChIKeyOSZYDDJLRRJEDJ-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

Analyze 3-N-ethyl-3-N-(3-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-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

1-N-ethyl-1-N-(3-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 63402660
4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747375
4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine
CID 113367563
2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796498
2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112905566
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
5-N-ethyl-4-methyl-5-N-(3-methylphenyl)-1,2-thiazole-3,5-diamine
CID 103360645
2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 115554643
2-amino-3-(N-ethyl-3-methylanilino)benzonitrile
CID 104716397
4-N,6-N,6-N-triethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539276
5-amino-2-(N-ethyl-3-methylanilino)pyridine-3-carbonitrile
CID 61076219

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(3-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-(3-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine (CID 28818283) is 3-N-ethyl-3-N-(3-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(3-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(3-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine is CCN(c1cccc(C)c1)c1cc(C(F)(F)F)cnc1N.
What is the InChIKey of 3-N-ethyl-3-N-(3-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
The InChIKey is OSZYDDJLRRJEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-3-21(12-6-4-5-10(2)7-12)13-8-11(15(16,17)18)9-20-14(13)19/h4-9H,3H2,1-2H3,(H2,19,20).
What are the key properties of 3-N-ethyl-3-N-(3-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
3-N-ethyl-3-N-(3-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-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 3-N-ethyl-3-N-(3-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 28818283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).