(1R)-5-chloro-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 281838
• Molecular Formular: C9H10ClN
• Molecular Mass: 167.6354
• Monoisotopic Mass: 167.05017701
• SMILES: c12c(ccc(c1)Cl)[C@@H](CC2)N
• Canonical SMILES: Clc1ccc2c(c1)CC[C@H]2N
• InChI: InChI=1S/C9H10ClN/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,9H,1,4,11H2/t9-/m1/s1
• InChIKey: CCNOGOGUHOMLMI-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-5-chloro-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: (1R)-5-chloro-2,3-dihydro-1H-inden-1-amine
• Synonyms: (1R)-5-chloro-2,3-dihydro-1H-inden-1-amine

Database IDs

• MDL Number: MFCD07373936
• PubChem SID: 180667369
• PubChem CID: 28373923

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7567747
• LogD (pH = 7.4): 0.025022244
• Log P: 2.2472832
• Molar Refractivity: 46.917 cm^3
• Polarizability: 18.427576 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.221

Product Information

• Purity: 95%