2-methyl-4-[(E)-2-(2-methylphenyl)ethenyl]aniline

C16H17N — CID 137498181

IUPAC2-methyl-4-[(E)-2-(2-methylphenyl)ethenyl]aniline
SMILESCc1cc(/C=C/c2ccccc2C)ccc1N
InChIInChI=1S/C16H17N/c1-12-5-3-4-6-15(12)9-7-14-8-10-16(17)13(2)11-14/h3-11H,17H2,1-2H3/b9-7+
InChIKeyZPHFZKUMLBDXMS-VQHVLOKHSA-N
MW223.32 g/mol
LogP4.06
Rot. Bonds2

About 2-methyl-4-[(E)-2-(2-methylphenyl)ethenyl]aniline

2-methyl-4-[(E)-2-(2-methylphenyl)ethenyl]aniline (PubChem CID 137498181) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-4-[(E)-2-(2-methylphenyl)ethenyl]aniline.

Molecular Properties

Compound Name2-methyl-4-[(E)-2-(2-methylphenyl)ethenyl]aniline
PubChem CID137498181
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-methyl-4-[(E)-2-(2-methylphenyl)ethenyl]aniline
SMILESCc1cc(/C=C/c2ccccc2C)ccc1N
InChIInChI=1S/C16H17N/c1-12-5-3-4-6-15(12)9-7-14-8-10-16(17)13(2)11-14/h3-11H,17H2,1-2H3/b9-7+
InChIKeyZPHFZKUMLBDXMS-VQHVLOKHSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(E)-2-(2-methylphenyl)ethenyl]aniline?
The IUPAC name of 2-methyl-4-[(E)-2-(2-methylphenyl)ethenyl]aniline (CID 137498181) is 2-methyl-4-[(E)-2-(2-methylphenyl)ethenyl]aniline.
What is the SMILES notation for 2-methyl-4-[(E)-2-(2-methylphenyl)ethenyl]aniline?
The canonical SMILES for 2-methyl-4-[(E)-2-(2-methylphenyl)ethenyl]aniline is Cc1cc(/C=C/c2ccccc2C)ccc1N.
What is the InChIKey of 2-methyl-4-[(E)-2-(2-methylphenyl)ethenyl]aniline?
The InChIKey is ZPHFZKUMLBDXMS-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H17N/c1-12-5-3-4-6-15(12)9-7-14-8-10-16(17)13(2)11-14/h3-11H,17H2,1-2H3/b9-7+.
What are the key properties of 2-methyl-4-[(E)-2-(2-methylphenyl)ethenyl]aniline?
2-methyl-4-[(E)-2-(2-methylphenyl)ethenyl]aniline has a molecular weight of 223.32 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(E)-2-(2-methylphenyl)ethenyl]aniline is sourced from PubChem (CID 137498181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).