1-(2,3-dihydro-1H-inden-5-yl)propan-2-amine

• ChemBase ID: 125476
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: c1cc(cc2c1CCC2)CC(N)C
• Canonical SMILES: CC(Cc1ccc2c(c1)CCC2)N
• InChI: InChI=1S/C12H17N/c1-9(13)7-10-5-6-11-3-2-4-12(11)8-10/h5-6,8-9H,2-4,7,13H2,1H3
• InChIKey: QYVNZHBQYJRLEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dihydro-1H-inden-5-yl)propan-2-amine
• IUPAC Traditional name: indanylaminopropane
• Synonyms: 1-(5-indanyl)-2-aminopropane; 5-APDI

Database IDs

• CAS Number: 152624-02-7
• PubChem SID: 162219826
• PubChem CID: 192600
• CHEMBL: 6842
• Chemspider ID: 167142
• Wikipedia Title: 5-APDI

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.20774616
• LogD (pH = 7.4): 0.3216422
• Log P: 2.8119361
• Molar Refractivity: 56.5864 cm^3
• Polarizability: 21.993505 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled (but may be covered under the Federal Analogue Act in the United States and under similar bills in other countries)