3-methyl-4-(5-methyl-3-pyridinyl)aniline

C13H14N2 — CID 115375020

IUPAC3-methyl-4-(5-methyl-3-pyridinyl)aniline
SMILESCc1cncc(-c2ccc(N)cc2C)c1
InChIInChI=1S/C13H14N2/c1-9-5-11(8-15-7-9)13-4-3-12(14)6-10(13)2/h3-8H,14H2,1-2H3
InChIKeySNTQLVKPOSWPQS-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.95
Rot. Bonds1

About 3-methyl-4-(5-methyl-3-pyridinyl)aniline

3-methyl-4-(5-methyl-3-pyridinyl)aniline (PubChem CID 115375020) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-methyl-4-(5-methyl-3-pyridinyl)aniline.

Molecular Properties

Compound Name3-methyl-4-(5-methyl-3-pyridinyl)aniline
PubChem CID115375020
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name3-methyl-4-(5-methyl-3-pyridinyl)aniline
SMILESCc1cncc(-c2ccc(N)cc2C)c1
InChIInChI=1S/C13H14N2/c1-9-5-11(8-15-7-9)13-4-3-12(14)6-10(13)2/h3-8H,14H2,1-2H3
InChIKeySNTQLVKPOSWPQS-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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(5-methyl-3-pyridinyl)aniline?
The IUPAC name of 3-methyl-4-(5-methyl-3-pyridinyl)aniline (CID 115375020) is 3-methyl-4-(5-methyl-3-pyridinyl)aniline.
What is the SMILES notation for 3-methyl-4-(5-methyl-3-pyridinyl)aniline?
The canonical SMILES for 3-methyl-4-(5-methyl-3-pyridinyl)aniline is Cc1cncc(-c2ccc(N)cc2C)c1.
What is the InChIKey of 3-methyl-4-(5-methyl-3-pyridinyl)aniline?
The InChIKey is SNTQLVKPOSWPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-9-5-11(8-15-7-9)13-4-3-12(14)6-10(13)2/h3-8H,14H2,1-2H3.
What are the key properties of 3-methyl-4-(5-methyl-3-pyridinyl)aniline?
3-methyl-4-(5-methyl-3-pyridinyl)aniline 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-methyl-4-(5-methyl-3-pyridinyl)aniline is sourced from PubChem (CID 115375020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).