2,4-bis(prop-2-enyl)aniline

C12H15N — CID 67154427

IUPAC2,4-bis(prop-2-enyl)aniline
SMILESC=CCc1ccc(N)c(CC=C)c1
InChIInChI=1S/C12H15N/c1-3-5-10-7-8-12(13)11(9-10)6-4-2/h3-4,7-9H,1-2,5-6,13H2
InChIKeyNWJMQTGYWZBUKU-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.73
Rot. Bonds4

About 2,4-bis(prop-2-enyl)aniline

2,4-bis(prop-2-enyl)aniline (PubChem CID 67154427) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2,4-bis(prop-2-enyl)aniline.

Molecular Properties

Compound Name2,4-bis(prop-2-enyl)aniline
PubChem CID67154427
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2,4-bis(prop-2-enyl)aniline
SMILESC=CCc1ccc(N)c(CC=C)c1
InChIInChI=1S/C12H15N/c1-3-5-10-7-8-12(13)11(9-10)6-4-2/h3-4,7-9H,1-2,5-6,13H2
InChIKeyNWJMQTGYWZBUKU-UHFFFAOYSA-N
XLogP2.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-bis(prop-2-enyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(prop-2-enyl)aniline?
The IUPAC name of 2,4-bis(prop-2-enyl)aniline (CID 67154427) is 2,4-bis(prop-2-enyl)aniline.
What is the SMILES notation for 2,4-bis(prop-2-enyl)aniline?
The canonical SMILES for 2,4-bis(prop-2-enyl)aniline is C=CCc1ccc(N)c(CC=C)c1.
What is the InChIKey of 2,4-bis(prop-2-enyl)aniline?
The InChIKey is NWJMQTGYWZBUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-3-5-10-7-8-12(13)11(9-10)6-4-2/h3-4,7-9H,1-2,5-6,13H2.
What are the key properties of 2,4-bis(prop-2-enyl)aniline?
2,4-bis(prop-2-enyl)aniline has a molecular weight of 173.26 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(prop-2-enyl)aniline is sourced from PubChem (CID 67154427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).