2-amino-4-methyl-6-phenylbenzene-1,3-dicarbonitrile

C15H11N3 — CID 11031777

IUPAC2-amino-4-methyl-6-phenylbenzene-1,3-dicarbonitrile
SMILESCc1cc(-c2ccccc2)c(C#N)c(N)c1C#N
InChIInChI=1S/C15H11N3/c1-10-7-12(11-5-3-2-4-6-11)14(9-17)15(18)13(10)8-16/h2-7H,18H2,1H3
InChIKeyWYDZPJKNTNMEFR-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.99
Rot. Bonds1

About 2-amino-4-methyl-6-phenylbenzene-1,3-dicarbonitrile

2-amino-4-methyl-6-phenylbenzene-1,3-dicarbonitrile (PubChem CID 11031777) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-amino-4-methyl-6-phenylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-methyl-6-phenylbenzene-1,3-dicarbonitrile
PubChem CID11031777
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name2-amino-4-methyl-6-phenylbenzene-1,3-dicarbonitrile
SMILESCc1cc(-c2ccccc2)c(C#N)c(N)c1C#N
InChIInChI=1S/C15H11N3/c1-10-7-12(11-5-3-2-4-6-11)14(9-17)15(18)13(10)8-16/h2-7H,18H2,1H3
InChIKeyWYDZPJKNTNMEFR-UHFFFAOYSA-N
XLogP2.99
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-4-methyl-6-phenylbenzene-1,3-dicarbonitrile 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-amino-4-methyl-6-phenylbenzene-1,3-dicarbonitrile?
The IUPAC name of 2-amino-4-methyl-6-phenylbenzene-1,3-dicarbonitrile (CID 11031777) is 2-amino-4-methyl-6-phenylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-amino-4-methyl-6-phenylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 2-amino-4-methyl-6-phenylbenzene-1,3-dicarbonitrile is Cc1cc(-c2ccccc2)c(C#N)c(N)c1C#N.
What is the InChIKey of 2-amino-4-methyl-6-phenylbenzene-1,3-dicarbonitrile?
The InChIKey is WYDZPJKNTNMEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c1-10-7-12(11-5-3-2-4-6-11)14(9-17)15(18)13(10)8-16/h2-7H,18H2,1H3.
What are the key properties of 2-amino-4-methyl-6-phenylbenzene-1,3-dicarbonitrile?
2-amino-4-methyl-6-phenylbenzene-1,3-dicarbonitrile has a molecular weight of 233.27 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-6-phenylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 11031777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).