(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

• ChemBase ID: 798096
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: c1(cc2c(cc1)CC[C@@H](C2)N)OC
• Canonical SMILES: COc1ccc2c(c1)C[C@H](CC2)N
• InChI: InChI=1S/C11H15NO/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7,10H,2,4,6,12H2,1H3/t10-/m0/s1
• InChIKey: ZNWNWWLWFCCREO-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: (2S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
• Synonyms: (s)-2-amino-1,2,3,4-tetrahydro-7-methoxyNaphthalene

Database IDs

• CAS Number: 121216-42-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2445631
• LogD (pH = 7.4): -0.69571847
• Log P: 1.7742285
• Molar Refractivity: 53.3304 cm^3
• Polarizability: 20.863153 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%