3-(1H-indol-5-yl)-N-methylaniline

C15H14N2 — CID 116996135

IUPAC3-(1H-indol-5-yl)-N-methylaniline
SMILESCNc1cccc(-c2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C15H14N2/c1-16-14-4-2-3-11(10-14)12-5-6-15-13(9-12)7-8-17-15/h2-10,16-17H,1H3
InChIKeyHKOFPIKFDMYYDA-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.88
Rot. Bonds2

About 3-(1H-indol-5-yl)-N-methylaniline

3-(1H-indol-5-yl)-N-methylaniline (PubChem CID 116996135) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-N-methylaniline.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-N-methylaniline
PubChem CID116996135
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name3-(1H-indol-5-yl)-N-methylaniline
SMILESCNc1cccc(-c2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C15H14N2/c1-16-14-4-2-3-11(10-14)12-5-6-15-13(9-12)7-8-17-15/h2-10,16-17H,1H3
InChIKeyHKOFPIKFDMYYDA-UHFFFAOYSA-N
XLogP3.88
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-(1H-indol-5-yl)-N-methylaniline 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-(1H-indol-5-yl)-N-methylaniline?
The IUPAC name of 3-(1H-indol-5-yl)-N-methylaniline (CID 116996135) is 3-(1H-indol-5-yl)-N-methylaniline.
What is the SMILES notation for 3-(1H-indol-5-yl)-N-methylaniline?
The canonical SMILES for 3-(1H-indol-5-yl)-N-methylaniline is CNc1cccc(-c2ccc3[nH]ccc3c2)c1.
What is the InChIKey of 3-(1H-indol-5-yl)-N-methylaniline?
The InChIKey is HKOFPIKFDMYYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-16-14-4-2-3-11(10-14)12-5-6-15-13(9-12)7-8-17-15/h2-10,16-17H,1H3.
What are the key properties of 3-(1H-indol-5-yl)-N-methylaniline?
3-(1H-indol-5-yl)-N-methylaniline has a molecular weight of 222.29 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-N-methylaniline is sourced from PubChem (CID 116996135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).