4-(3-amino-2,4-dimethylphenyl)-2-methylpyridin-3-amine

C14H17N3 — CID 56636344

IUPAC4-(3-amino-2,4-dimethylphenyl)-2-methylpyridin-3-amine
SMILESCc1ccc(-c2ccnc(C)c2N)c(C)c1N
InChIInChI=1S/C14H17N3/c1-8-4-5-11(9(2)13(8)15)12-6-7-17-10(3)14(12)16/h4-7H,15-16H2,1-3H3
InChIKeyHFRMKLKWPUHLRJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.84
Rot. Bonds1

About 4-(3-amino-2,4-dimethylphenyl)-2-methylpyridin-3-amine

4-(3-amino-2,4-dimethylphenyl)-2-methylpyridin-3-amine (PubChem CID 56636344) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(3-amino-2,4-dimethylphenyl)-2-methylpyridin-3-amine.

Molecular Properties

Compound Name4-(3-amino-2,4-dimethylphenyl)-2-methylpyridin-3-amine
PubChem CID56636344
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-(3-amino-2,4-dimethylphenyl)-2-methylpyridin-3-amine
SMILESCc1ccc(-c2ccnc(C)c2N)c(C)c1N
InChIInChI=1S/C14H17N3/c1-8-4-5-11(9(2)13(8)15)12-6-7-17-10(3)14(12)16/h4-7H,15-16H2,1-3H3
InChIKeyHFRMKLKWPUHLRJ-UHFFFAOYSA-N
XLogP2.84
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-Aminoisoquinoline
CID 70766
3-Aminoquinoline
CID 11375
5-Methyl-1,10-phenanthroline
CID 72791
8-Aminoquinoline
CID 11359
5,6-Dimethyl-1,10-phenanthroline
CID 76357
Benzo(h)quinoline
CID 9191
7-Methylquinoline
CID 11927
5-Methylquinoline
CID 24312
8-Quinolinamine, 4-methyl-
CID 97374
N-Desmethylpheniramine
CID 161283
3-(2-Pyridin-4-ylethyl)aniline
CID 5200230
3-(Pyridin-3-yl)aniline
CID 459521

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2,4-dimethylphenyl)-2-methylpyridin-3-amine?
The IUPAC name of 4-(3-amino-2,4-dimethylphenyl)-2-methylpyridin-3-amine (CID 56636344) is 4-(3-amino-2,4-dimethylphenyl)-2-methylpyridin-3-amine.
What is the SMILES notation for 4-(3-amino-2,4-dimethylphenyl)-2-methylpyridin-3-amine?
The canonical SMILES for 4-(3-amino-2,4-dimethylphenyl)-2-methylpyridin-3-amine is Cc1ccc(-c2ccnc(C)c2N)c(C)c1N.
What is the InChIKey of 4-(3-amino-2,4-dimethylphenyl)-2-methylpyridin-3-amine?
The InChIKey is HFRMKLKWPUHLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-8-4-5-11(9(2)13(8)15)12-6-7-17-10(3)14(12)16/h4-7H,15-16H2,1-3H3.
What are the key properties of 4-(3-amino-2,4-dimethylphenyl)-2-methylpyridin-3-amine?
4-(3-amino-2,4-dimethylphenyl)-2-methylpyridin-3-amine has a molecular weight of 227.31 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2,4-dimethylphenyl)-2-methylpyridin-3-amine is sourced from PubChem (CID 56636344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).