2-(3H-inden-1-yl)-N-methylethanamine

C12H15N — CID 58164560

IUPAC2-(3H-inden-1-yl)-N-methylethanamine
SMILESCNCCC1=CCc2ccccc21
InChIInChI=1S/C12H15N/c1-13-9-8-11-7-6-10-4-2-3-5-12(10)11/h2-5,7,13H,6,8-9H2,1H3
InChIKeyUFEXSAWKMYLLJJ-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.24
Rot. Bonds3

About 2-(3H-inden-1-yl)-N-methylethanamine

2-(3H-inden-1-yl)-N-methylethanamine (PubChem CID 58164560) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(3H-inden-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3H-inden-1-yl)-N-methylethanamine
PubChem CID58164560
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-(3H-inden-1-yl)-N-methylethanamine
SMILESCNCCC1=CCc2ccccc21
InChIInChI=1S/C12H15N/c1-13-9-8-11-7-6-10-4-2-3-5-12(10)11/h2-5,7,13H,6,8-9H2,1H3
InChIKeyUFEXSAWKMYLLJJ-UHFFFAOYSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3H-inden-1-yl)-N-methylethanamine 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-(3H-inden-1-yl)-N-methylethanamine?
The IUPAC name of 2-(3H-inden-1-yl)-N-methylethanamine (CID 58164560) is 2-(3H-inden-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3H-inden-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(3H-inden-1-yl)-N-methylethanamine is CNCCC1=CCc2ccccc21.
What is the InChIKey of 2-(3H-inden-1-yl)-N-methylethanamine?
The InChIKey is UFEXSAWKMYLLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-13-9-8-11-7-6-10-4-2-3-5-12(10)11/h2-5,7,13H,6,8-9H2,1H3.
What are the key properties of 2-(3H-inden-1-yl)-N-methylethanamine?
2-(3H-inden-1-yl)-N-methylethanamine has a molecular weight of 173.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-inden-1-yl)-N-methylethanamine is sourced from PubChem (CID 58164560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).