8-methyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine

• ChemBase ID: 310690
• Molecular Formular: C16H24N2
• Molecular Mass: 244.37516
• Monoisotopic Mass: 244.19394878
• SMILES: N1(C2CC(CC1CC2)NCCc1ccccc1)C
• Canonical SMILES: CN1C2CCC1CC(C2)NCCc1ccccc1
• InChI: InChI=1S/C16H24N2/c1-18-15-7-8-16(18)12-14(11-15)17-10-9-13-5-3-2-4-6-13/h2-6,14-17H,7-12H2,1H3
• InChIKey: NIFBNIANYCOETB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
• IUPAC Traditional name: 8-methyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
• Synonyms: 8-methyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine

Database IDs

• CAS Number: 101438-17-9
• MDL Number: MFCD04116070

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4041781
• LogD (pH = 7.4): -1.2873833
• Log P: 2.3723936
• Molar Refractivity: 76.3935 cm^3
• Polarizability: 30.320082 Å^3
• Polar Surface Area: 15.27 Å^2