2-methyl-4-(2-methylphenyl)aniline

C14H15N — CID 25948

IUPAC2-methyl-4-(2-methylphenyl)aniline
SMILESCc1cc(-c2ccccc2C)ccc1N
InChIInChI=1S/C14H15N/c1-10-5-3-4-6-13(10)12-7-8-14(15)11(2)9-12/h3-9H,15H2,1-2H3
InChIKeyHSQVHYANHDSFFI-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.55
Rot. Bonds1

About 2-methyl-4-(2-methylphenyl)aniline

2-methyl-4-(2-methylphenyl)aniline (PubChem CID 25948) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-4-(2-methylphenyl)aniline.

Molecular Properties

Compound Name2-methyl-4-(2-methylphenyl)aniline
PubChem CID25948
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name2-methyl-4-(2-methylphenyl)aniline
SMILESCc1cc(-c2ccccc2C)ccc1N
InChIInChI=1S/C14H15N/c1-10-5-3-4-6-13(10)12-7-8-14(15)11(2)9-12/h3-9H,15H2,1-2H3
InChIKeyHSQVHYANHDSFFI-UHFFFAOYSA-N
XLogP3.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylphenyl)aniline?
The IUPAC name of 2-methyl-4-(2-methylphenyl)aniline (CID 25948) is 2-methyl-4-(2-methylphenyl)aniline.
What is the SMILES notation for 2-methyl-4-(2-methylphenyl)aniline?
The canonical SMILES for 2-methyl-4-(2-methylphenyl)aniline is Cc1cc(-c2ccccc2C)ccc1N.
What is the InChIKey of 2-methyl-4-(2-methylphenyl)aniline?
The InChIKey is HSQVHYANHDSFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-10-5-3-4-6-13(10)12-7-8-14(15)11(2)9-12/h3-9H,15H2,1-2H3.
What are the key properties of 2-methyl-4-(2-methylphenyl)aniline?
2-methyl-4-(2-methylphenyl)aniline has a molecular weight of 197.28 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylphenyl)aniline is sourced from PubChem (CID 25948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).