(1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 808683
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: N[C@@H]1c2ccc(c(c2CCC1)OC)OC
• Canonical SMILES: COc1ccc2c(c1OC)CCC[C@@H]2N
• InChI: InChI=1S/C12H17NO2/c1-14-11-7-6-8-9(12(11)15-2)4-3-5-10(8)13/h6-7,10H,3-5,13H2,1-2H3/t10-/m0/s1
• InChIKey: WOADEMZTZBTFMH-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: (1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: (S)-5,6-DIMETHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2315711
• LogD (pH = 7.4): -0.4495085
• Log P: 1.7724646
• Molar Refractivity: 59.6396 cm^3
• Polarizability: 23.446238 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%