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

• ChemBase ID: 125494
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: c1cc2CCCc2cc1CC(C)NC
• Canonical SMILES: CNC(Cc1ccc2c(c1)CCC2)C
• InChI: InChI=1S/C13H19N/c1-10(14-2)8-11-6-7-12-4-3-5-13(12)9-11/h6-7,9-10,14H,3-5,8H2,1-2H3
• InChIKey: MHBKJTHGGWQKSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2,3-dihydro-1H-inden-5-yl)propan-2-yl](methyl)amine
• IUPAC Traditional name: indanylmethylaminopropane
• Synonyms: ''N''-methyl-5-indanyl-2-aminopropane; 5-MAPDI

Database IDs

• PubChem SID: 162219844
• PubChem CID: 57461970
• Chemspider ID: 26679339
• Wikipedia Title: 5-MAPDI

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.01588286
• LogD (pH = 7.4): 0.5444866
• Log P: 3.2445164
• Molar Refractivity: 61.361 cm^3
• Polarizability: 23.84051 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled