4-(2,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine

C17H19N — CID 114081048

IUPAC4-(2,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(C)c(-c2cccc3c2CCC3N)c1
InChIInChI=1S/C17H19N/c1-11-6-7-12(2)16(10-11)13-4-3-5-15-14(13)8-9-17(15)18/h3-7,10,17H,8-9,18H2,1-2H3
InChIKeyGTTYAMVIVNGRJH-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.92
Rot. Bonds1

About 4-(2,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine

4-(2,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 114081048) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID114081048
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name4-(2,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(C)c(-c2cccc3c2CCC3N)c1
InChIInChI=1S/C17H19N/c1-11-6-7-12(2)16(10-11)13-4-3-5-15-14(13)8-9-17(15)18/h3-7,10,17H,8-9,18H2,1-2H3
InChIKeyGTTYAMVIVNGRJH-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-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 4-(2,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-(2,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine (CID 114081048) is 4-(2,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-(2,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine is Cc1ccc(C)c(-c2cccc3c2CCC3N)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GTTYAMVIVNGRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-11-6-7-12(2)16(10-11)13-4-3-5-15-14(13)8-9-17(15)18/h3-7,10,17H,8-9,18H2,1-2H3.
What are the key properties of 4-(2,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine?
4-(2,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 237.35 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 114081048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).