[8-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine

• ChemBase ID: 811757
• Molecular Formular: C16H23NO3
• Molecular Mass: 277.35872
• Monoisotopic Mass: 277.1677936
• SMILES: C(N)C1(CCC2(OCCO2)CC1)c1ccc(cc1)OC
• Canonical SMILES: NCC1(CCC2(CC1)OCCO2)c1ccc(cc1)OC
• InChI: InChI=1S/C16H23NO3/c1-18-14-4-2-13(3-5-14)15(12-17)6-8-16(9-7-15)19-10-11-20-16/h2-5H,6-12,17H2,1H3
• InChIKey: ZIWYROVHONPHJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [8-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine
• IUPAC Traditional name: [8-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine
• Synonyms: 1-[8-(4-METHOXYPHENYL)-1,4-DIOXASPIRO[4.5]DEC-8-YL]METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0646837
• LogD (pH = 7.4): -0.1308496
• Log P: 1.9238806
• Molar Refractivity: 77.5111 cm^3
• Polarizability: 30.791697 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%