2-(1-methylindol-3-yl)aniline

C15H14N2 — CID 138983733

IUPAC2-(1-methylindol-3-yl)aniline
SMILESCn1cc(-c2ccccc2N)c2ccccc21
InChIInChI=1S/C15H14N2/c1-17-10-13(11-6-2-4-8-14(11)16)12-7-3-5-9-15(12)17/h2-10H,16H2,1H3
InChIKeyMKVBZEMSRVLPGW-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.43
Rot. Bonds1

About 2-(1-methylindol-3-yl)aniline

2-(1-methylindol-3-yl)aniline (PubChem CID 138983733) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)aniline.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)aniline
PubChem CID138983733
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name2-(1-methylindol-3-yl)aniline
SMILESCn1cc(-c2ccccc2N)c2ccccc21
InChIInChI=1S/C15H14N2/c1-17-10-13(11-6-2-4-8-14(11)16)12-7-3-5-9-15(12)17/h2-10H,16H2,1H3
InChIKeyMKVBZEMSRVLPGW-UHFFFAOYSA-N
XLogP3.43
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-methylindol-3-yl)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-(1-methylindol-3-yl)aniline?
The IUPAC name of 2-(1-methylindol-3-yl)aniline (CID 138983733) is 2-(1-methylindol-3-yl)aniline.
What is the SMILES notation for 2-(1-methylindol-3-yl)aniline?
The canonical SMILES for 2-(1-methylindol-3-yl)aniline is Cn1cc(-c2ccccc2N)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)aniline?
The InChIKey is MKVBZEMSRVLPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-17-10-13(11-6-2-4-8-14(11)16)12-7-3-5-9-15(12)17/h2-10H,16H2,1H3.
What are the key properties of 2-(1-methylindol-3-yl)aniline?
2-(1-methylindol-3-yl)aniline has a molecular weight of 222.29 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)aniline is sourced from PubChem (CID 138983733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).