1-methyl-3-(4-methylphenyl)indole

C16H15N — CID 58931542

IUPAC1-methyl-3-(4-methylphenyl)indole
SMILESCc1ccc(-c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C16H15N/c1-12-7-9-13(10-8-12)15-11-17(2)16-6-4-3-5-14(15)16/h3-11H,1-2H3
InChIKeyQIWHYNIGDGMILM-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.15
Rot. Bonds1

About 1-methyl-3-(4-methylphenyl)indole

1-methyl-3-(4-methylphenyl)indole (PubChem CID 58931542) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-methyl-3-(4-methylphenyl)indole.

Molecular Properties

Compound Name1-methyl-3-(4-methylphenyl)indole
PubChem CID58931542
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name1-methyl-3-(4-methylphenyl)indole
SMILESCc1ccc(-c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C16H15N/c1-12-7-9-13(10-8-12)15-11-17(2)16-6-4-3-5-14(15)16/h3-11H,1-2H3
InChIKeyQIWHYNIGDGMILM-UHFFFAOYSA-N
XLogP4.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-3-(4-methylphenyl)indole 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 1-methyl-3-(4-methylphenyl)indole?
The IUPAC name of 1-methyl-3-(4-methylphenyl)indole (CID 58931542) is 1-methyl-3-(4-methylphenyl)indole.
What is the SMILES notation for 1-methyl-3-(4-methylphenyl)indole?
The canonical SMILES for 1-methyl-3-(4-methylphenyl)indole is Cc1ccc(-c2cn(C)c3ccccc23)cc1.
What is the InChIKey of 1-methyl-3-(4-methylphenyl)indole?
The InChIKey is QIWHYNIGDGMILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-12-7-9-13(10-8-12)15-11-17(2)16-6-4-3-5-14(15)16/h3-11H,1-2H3.
What are the key properties of 1-methyl-3-(4-methylphenyl)indole?
1-methyl-3-(4-methylphenyl)indole has a molecular weight of 221.30 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylphenyl)indole is sourced from PubChem (CID 58931542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).