4-(2,3-dihydro-1H-inden-5-yl)-2-methylaniline

C16H17N — CID 54912598

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-2-methylaniline
SMILESCc1cc(-c2ccc3c(c2)CCC3)ccc1N
InChIInChI=1S/C16H17N/c1-11-9-14(7-8-16(11)17)15-6-5-12-3-2-4-13(12)10-15/h5-10H,2-4,17H2,1H3
InChIKeyFLASBBIYZRZHLY-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.73
Rot. Bonds1

About 4-(2,3-dihydro-1H-inden-5-yl)-2-methylaniline

4-(2,3-dihydro-1H-inden-5-yl)-2-methylaniline (PubChem CID 54912598) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-2-methylaniline.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-2-methylaniline
PubChem CID54912598
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-2-methylaniline
SMILESCc1cc(-c2ccc3c(c2)CCC3)ccc1N
InChIInChI=1S/C16H17N/c1-11-9-14(7-8-16(11)17)15-6-5-12-3-2-4-13(12)10-15/h5-10H,2-4,17H2,1H3
InChIKeyFLASBBIYZRZHLY-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(2,3-dihydro-1H-inden-5-yl)-2-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 4-(2,3-dihydro-1H-inden-5-yl)-2-methylaniline?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-2-methylaniline (CID 54912598) is 4-(2,3-dihydro-1H-inden-5-yl)-2-methylaniline.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-2-methylaniline?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-2-methylaniline is Cc1cc(-c2ccc3c(c2)CCC3)ccc1N.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-2-methylaniline?
The InChIKey is FLASBBIYZRZHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-11-9-14(7-8-16(11)17)15-6-5-12-3-2-4-13(12)10-15/h5-10H,2-4,17H2,1H3.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-2-methylaniline?
4-(2,3-dihydro-1H-inden-5-yl)-2-methylaniline has a molecular weight of 223.32 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-2-methylaniline is sourced from PubChem (CID 54912598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).