2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine

C14H17N3 — CID 20714444

IUPAC2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine
SMILESCCc1cccc(Nc2nccc(C)c2N)c1
InChIInChI=1S/C14H17N3/c1-3-11-5-4-6-12(9-11)17-14-13(15)10(2)7-8-16-14/h4-9H,3,15H2,1-2H3,(H,16,17)
InChIKeyZEAJVRFXPSCMCY-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.28
Rot. Bonds3

About 2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine

2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine (PubChem CID 20714444) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine
PubChem CID20714444
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine
SMILESCCc1cccc(Nc2nccc(C)c2N)c1
InChIInChI=1S/C14H17N3/c1-3-11-5-4-6-12(9-11)17-14-13(15)10(2)7-8-16-14/h4-9H,3,15H2,1-2H3,(H,16,17)
InChIKeyZEAJVRFXPSCMCY-UHFFFAOYSA-N
XLogP3.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3-ethylphenyl)pyridin-2-amine
CID 63463490
prop-2-ynyl 3-[(3-amino-4-methyl-2-pyridinyl)amino]benzoate
CID 82534226
1-N-(3-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43165595
2-N-(3-ethylphenyl)pyridine-2,5-diamine
CID 20714461
5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine
CID 86661943
2-N-(3-ethylphenyl)-3-methylbenzene-1,2-diamine
CID 113333679
4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 80762166
3-bromo-N-(3-ethylphenyl)-5-methylpyridin-2-amine
CID 105367623
6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine
CID 113316737
N-(3-ethylphenyl)-1-methylimidazol-2-amine
CID 106559848
2-N-(2-fluoro-3-methylphenyl)-4-methylpyridine-2,3-diamine
CID 114254113
5-N-(3-ethylphenyl)-1,3-benzothiazole-4,5-diamine
CID 43451362

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine (CID 20714444) is 2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine is CCc1cccc(Nc2nccc(C)c2N)c1.
What is the InChIKey of 2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine?
The InChIKey is ZEAJVRFXPSCMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-11-5-4-6-12(9-11)17-14-13(15)10(2)7-8-16-14/h4-9H,3,15H2,1-2H3,(H,16,17).
What are the key properties of 2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine?
2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine has a molecular weight of 227.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine is sourced from PubChem (CID 20714444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).