6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 815644
• Molecular Formular: C10H12ClN
• Molecular Mass: 181.66198
• Monoisotopic Mass: 181.06582707
• SMILES: C1C(c2cc(ccc2C1)Cl)NC
• Canonical SMILES: CNC1CCc2c1cc(Cl)cc2
• InChI: InChI=1S/C10H12ClN/c1-12-10-5-3-7-2-4-8(11)6-9(7)10/h2,4,6,10,12H,3,5H2,1H3
• InChIKey: MDCGEWCRGNLLKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: 6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
• Synonyms: 6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine

Database IDs

• CAS Number: 1188244-51-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5091864
• LogD (pH = 7.4): 0.48878002
• Log P: 2.6798635
• Molar Refractivity: 51.6916 cm^3
• Polarizability: 20.268333 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%