5-[2-(1-methylindol-3-yl)ethyl]-1H-pyrrol-2-amine

C15H17N3 — CID 82374716

IUPAC5-[2-(1-methylindol-3-yl)ethyl]-1H-pyrrol-2-amine
SMILESCn1cc(CCc2ccc(N)[nH]2)c2ccccc21
InChIInChI=1S/C15H17N3/c1-18-10-11(13-4-2-3-5-14(13)18)6-7-12-8-9-15(16)17-12/h2-5,8-10,17H,6-7,16H2,1H3
InChIKeyKTKAZFLPQSRIJE-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.87
Rot. Bonds3

About 5-[2-(1-methylindol-3-yl)ethyl]-1H-pyrrol-2-amine

5-[2-(1-methylindol-3-yl)ethyl]-1H-pyrrol-2-amine (PubChem CID 82374716) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-[2-(1-methylindol-3-yl)ethyl]-1H-pyrrol-2-amine.

Molecular Properties

Compound Name5-[2-(1-methylindol-3-yl)ethyl]-1H-pyrrol-2-amine
PubChem CID82374716
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name5-[2-(1-methylindol-3-yl)ethyl]-1H-pyrrol-2-amine
SMILESCn1cc(CCc2ccc(N)[nH]2)c2ccccc21
InChIInChI=1S/C15H17N3/c1-18-10-11(13-4-2-3-5-14(13)18)6-7-12-8-9-15(16)17-12/h2-5,8-10,17H,6-7,16H2,1H3
InChIKeyKTKAZFLPQSRIJE-UHFFFAOYSA-N
XLogP2.87
TPSA46.74 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[2-(1-methylindol-3-yl)ethyl]-1H-pyrrol-2-amine 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 5-[2-(1-methylindol-3-yl)ethyl]-1H-pyrrol-2-amine?
The IUPAC name of 5-[2-(1-methylindol-3-yl)ethyl]-1H-pyrrol-2-amine (CID 82374716) is 5-[2-(1-methylindol-3-yl)ethyl]-1H-pyrrol-2-amine.
What is the SMILES notation for 5-[2-(1-methylindol-3-yl)ethyl]-1H-pyrrol-2-amine?
The canonical SMILES for 5-[2-(1-methylindol-3-yl)ethyl]-1H-pyrrol-2-amine is Cn1cc(CCc2ccc(N)[nH]2)c2ccccc21.
What is the InChIKey of 5-[2-(1-methylindol-3-yl)ethyl]-1H-pyrrol-2-amine?
The InChIKey is KTKAZFLPQSRIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-18-10-11(13-4-2-3-5-14(13)18)6-7-12-8-9-15(16)17-12/h2-5,8-10,17H,6-7,16H2,1H3.
What are the key properties of 5-[2-(1-methylindol-3-yl)ethyl]-1H-pyrrol-2-amine?
5-[2-(1-methylindol-3-yl)ethyl]-1H-pyrrol-2-amine has a molecular weight of 239.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylindol-3-yl)ethyl]-1H-pyrrol-2-amine is sourced from PubChem (CID 82374716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).