N-[2-(3-fluorophenyl)ethyl]-3-azaspiro[5.5]undecan-9-amine

• ChemBase ID: 750430
• Molecular Formular: C18H27FN2
• Molecular Mass: 290.4187832
• Monoisotopic Mass: 290.21582709
• SMILES: N1CCC2(CCC(NCCc3cc(F)ccc3)CC2)CC1
• Canonical SMILES: Fc1cccc(c1)CCNC1CCC2(CC1)CCNCC2
• InChI: InChI=1S/C18H27FN2/c19-16-3-1-2-15(14-16)6-11-21-17-4-7-18(8-5-17)9-12-20-13-10-18/h1-3,14,17,20-21H,4-13H2
• InChIKey: BERDTCLXMBLBKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-fluorophenyl)ethyl]-3-azaspiro[5.5]undecan-9-amine
• IUPAC Traditional name: N-[2-(3-fluorophenyl)ethyl]-3-azaspiro[5.5]undecan-9-amine
• Synonyms: N-[2-(3-fluorophenyl)ethyl]-3-azaspiro[5.5]undecan-9-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2547498
• LogD (pH = 7.4): -2.369368
• Log P: 3.2093503
• Molar Refractivity: 85.5455 cm^3
• Polarizability: 33.600018 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.33
• LOG S: -3.15
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 4