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

• ChemBase ID: 808638
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: N[C@@H]1c2cccc(c2CCC1)C
• Canonical SMILES: N[C@H]1CCCc2c1cccc2C
• InChI: InChI=1S/C11H15N/c1-8-4-2-6-10-9(8)5-3-7-11(10)12/h2,4,6,11H,3,5,7,12H2,1H3/t11-/m0/s1
• InChIKey: LSTDMOINTSAUJQ-NSHDSACASA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.4090239
• LogD (pH = 7.4): 0.2905152
• Log P: 2.6012285
• Molar Refractivity: 51.7544 cm^3
• Polarizability: 20.226221 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%