3,4-dimethyl-5-pyridin-2-ylaniline

C13H14N2 — CID 165495051

IUPAC3,4-dimethyl-5-pyridin-2-ylaniline
SMILESCc1cc(N)cc(-c2ccccn2)c1C
InChIInChI=1S/C13H14N2/c1-9-7-11(14)8-12(10(9)2)13-5-3-4-6-15-13/h3-8H,14H2,1-2H3
InChIKeyVYTZGDKKPBCIBG-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.95
Rot. Bonds1

About 3,4-dimethyl-5-pyridin-2-ylaniline

3,4-dimethyl-5-pyridin-2-ylaniline (PubChem CID 165495051) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3,4-dimethyl-5-pyridin-2-ylaniline.

Molecular Properties

Compound Name3,4-dimethyl-5-pyridin-2-ylaniline
PubChem CID165495051
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name3,4-dimethyl-5-pyridin-2-ylaniline
SMILESCc1cc(N)cc(-c2ccccn2)c1C
InChIInChI=1S/C13H14N2/c1-9-7-11(14)8-12(10(9)2)13-5-3-4-6-15-13/h3-8H,14H2,1-2H3
InChIKeyVYTZGDKKPBCIBG-UHFFFAOYSA-N
XLogP2.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
2-(2-methylphenyl)pyridine
CID 144596153
2-(2,5-difluoro-4-methylphenyl)pyridine
CID 170974832
2-(4,5-difluoro-2-methylphenyl)pyridine;ethane
CID 145481986
6-(5-amino-2,3-dimethylphenyl)pyridine-3-carbaldehyde
CID 165490065
2-(2,4,6-trimethyl-3-pyridin-2-ylphenyl)pyridine
CID 140909024
2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine
CID 101459024
2-methyl-5-(2-pyridin-2-ylphenyl)aniline
CID 135030637
2-(2,4-dimethylphenyl)pyridine;ethane
CID 143636710
2-methyl-3-pyridin-2-ylbenzenethiol
CID 66915624
2-[2,3,4-tris(2,3-dimethylphenyl)phenyl]pyridine
CID 140795086
2-(3-ethoxynaphthalen-2-yl)pyridine
CID 132851347

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-pyridin-2-ylaniline?
The IUPAC name of 3,4-dimethyl-5-pyridin-2-ylaniline (CID 165495051) is 3,4-dimethyl-5-pyridin-2-ylaniline.
What is the SMILES notation for 3,4-dimethyl-5-pyridin-2-ylaniline?
The canonical SMILES for 3,4-dimethyl-5-pyridin-2-ylaniline is Cc1cc(N)cc(-c2ccccn2)c1C.
What is the InChIKey of 3,4-dimethyl-5-pyridin-2-ylaniline?
The InChIKey is VYTZGDKKPBCIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-9-7-11(14)8-12(10(9)2)13-5-3-4-6-15-13/h3-8H,14H2,1-2H3.
What are the key properties of 3,4-dimethyl-5-pyridin-2-ylaniline?
3,4-dimethyl-5-pyridin-2-ylaniline has a molecular weight of 198.27 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-pyridin-2-ylaniline is sourced from PubChem (CID 165495051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).