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

• ChemBase ID: 816168
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: C1[C@H](CCc2c(cccc12)OC)N
• Canonical SMILES: COc1cccc2c1CC[C@@H](C2)N
• InChI: InChI=1S/C11H15NO/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-4,9H,5-7,12H2,1H3/t9-/m0/s1
• InChIKey: SIHPGAYIYYGOIP-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: (2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
• Synonyms: (S)-(-)-5-METHOXY 2-AMINOTETRALIN

Database IDs

• CAS Number: 105086-80-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2447627
• LogD (pH = 7.4): -0.70019835
• Log P: 1.7742285
• Molar Refractivity: 53.3304 cm^3
• Polarizability: 20.864655 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%