3-methyl-1-phenyl-3H-indol-2-imine

C15H14N2 — CID 613559

IUPAC3-methyl-1-phenyl-3H-indol-2-imine
SMILES[H]/N=C1\C(C)c2ccccc2N1c1ccccc1
InChIInChI=1S/C15H14N2/c1-11-13-9-5-6-10-14(13)17(15(11)16)12-7-3-2-4-8-12/h2-11,16H,1H3/b16-15+
InChIKeyRAFXJIHSMARVRJ-FOCLMDBBSA-N
MW222.29 g/mol
LogP3.92
Rot. Bonds1

About 3-methyl-1-phenyl-3H-indol-2-imine

3-methyl-1-phenyl-3H-indol-2-imine (PubChem CID 613559) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-methyl-1-phenyl-3H-indol-2-imine.

Molecular Properties

Compound Name3-methyl-1-phenyl-3H-indol-2-imine
PubChem CID613559
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name3-methyl-1-phenyl-3H-indol-2-imine
SMILES[H]/N=C1\C(C)c2ccccc2N1c1ccccc1
InChIInChI=1S/C15H14N2/c1-11-13-9-5-6-10-14(13)17(15(11)16)12-7-3-2-4-8-12/h2-11,16H,1H3/b16-15+
InChIKeyRAFXJIHSMARVRJ-FOCLMDBBSA-N
XLogP3.92
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-methyl-1-phenyl-3H-indol-2-imine 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 3-methyl-1-phenyl-3H-indol-2-imine?
The IUPAC name of 3-methyl-1-phenyl-3H-indol-2-imine (CID 613559) is 3-methyl-1-phenyl-3H-indol-2-imine.
What is the SMILES notation for 3-methyl-1-phenyl-3H-indol-2-imine?
The canonical SMILES for 3-methyl-1-phenyl-3H-indol-2-imine is [H]/N=C1\C(C)c2ccccc2N1c1ccccc1.
What is the InChIKey of 3-methyl-1-phenyl-3H-indol-2-imine?
The InChIKey is RAFXJIHSMARVRJ-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H14N2/c1-11-13-9-5-6-10-14(13)17(15(11)16)12-7-3-2-4-8-12/h2-11,16H,1H3/b16-15+.
What are the key properties of 3-methyl-1-phenyl-3H-indol-2-imine?
3-methyl-1-phenyl-3H-indol-2-imine has a molecular weight of 222.29 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-3H-indol-2-imine is sourced from PubChem (CID 613559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).