4-[(Z)-2-(2-methylphenyl)ethenyl]aniline

C15H15N — CID 58868755

IUPAC4-[(Z)-2-(2-methylphenyl)ethenyl]aniline
SMILESCc1ccccc1/C=C\c1ccc(N)cc1
InChIInChI=1S/C15H15N/c1-12-4-2-3-5-14(12)9-6-13-7-10-15(16)11-8-13/h2-11H,16H2,1H3/b9-6-
InChIKeyIVMXYZJEPJEWML-TWGQIWQCSA-N
MW209.29 g/mol
LogP3.75
Rot. Bonds2

About 4-[(Z)-2-(2-methylphenyl)ethenyl]aniline

4-[(Z)-2-(2-methylphenyl)ethenyl]aniline (PubChem CID 58868755) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[(Z)-2-(2-methylphenyl)ethenyl]aniline.

Molecular Properties

Compound Name4-[(Z)-2-(2-methylphenyl)ethenyl]aniline
PubChem CID58868755
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name4-[(Z)-2-(2-methylphenyl)ethenyl]aniline
SMILESCc1ccccc1/C=C\c1ccc(N)cc1
InChIInChI=1S/C15H15N/c1-12-4-2-3-5-14(12)9-6-13-7-10-15(16)11-8-13/h2-11H,16H2,1H3/b9-6-
InChIKeyIVMXYZJEPJEWML-TWGQIWQCSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.75
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 4-[(Z)-2-(2-methylphenyl)ethenyl]aniline?
The IUPAC name of 4-[(Z)-2-(2-methylphenyl)ethenyl]aniline (CID 58868755) is 4-[(Z)-2-(2-methylphenyl)ethenyl]aniline.
What is the SMILES notation for 4-[(Z)-2-(2-methylphenyl)ethenyl]aniline?
The canonical SMILES for 4-[(Z)-2-(2-methylphenyl)ethenyl]aniline is Cc1ccccc1/C=C\c1ccc(N)cc1.
What is the InChIKey of 4-[(Z)-2-(2-methylphenyl)ethenyl]aniline?
The InChIKey is IVMXYZJEPJEWML-TWGQIWQCSA-N. The full InChI is InChI=1S/C15H15N/c1-12-4-2-3-5-14(12)9-6-13-7-10-15(16)11-8-13/h2-11H,16H2,1H3/b9-6-.
What are the key properties of 4-[(Z)-2-(2-methylphenyl)ethenyl]aniline?
4-[(Z)-2-(2-methylphenyl)ethenyl]aniline has a molecular weight of 209.29 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(2-methylphenyl)ethenyl]aniline is sourced from PubChem (CID 58868755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).