N-methyl-1-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 799857
• Molecular Formular: C15H22N2
• Molecular Mass: 230.34858
• Monoisotopic Mass: 230.17829871
• SMILES: N(C1(CCc2ccccc12)CN1CCCC1)C
• Canonical SMILES: CNC1(CCc2c1cccc2)CN1CCCC1
• InChI: InChI=1S/C15H22N2/c1-16-15(12-17-10-4-5-11-17)9-8-13-6-2-3-7-14(13)15/h2-3,6-7,16H,4-5,8-12H2,1H3
• InChIKey: XCHQBHYCKBTAIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: N-methyl-1-(pyrrolidin-1-ylmethyl)-2,3-dihydroinden-1-amine
• Synonyms: Methyl-(1-pyrrolidin-1-ylmethyl-indan-1-yl)-amine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2784433
• LogD (pH = 7.4): 0.109205365
• Log P: 2.4240296
• Molar Refractivity: 72.3365 cm^3
• Polarizability: 28.46798 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%