(1S)-1-phenyl-2-(pyridin-2-yl)ethan-1-amine

• ChemBase ID: 128013
• Molecular Formular: C13H14N2
• Molecular Mass: 198.26366
• Monoisotopic Mass: 198.11569846
• SMILES: N[C@H](c1ccccc1)Cc1ncccc1
• Canonical SMILES: N[C@H](c1ccccc1)Cc1ccccn1
• InChI: InChI=1S/C13H14N2/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12/h1-9,13H,10,14H2/t13-/m0/s1
• InChIKey: FWUQWDCOOWEXRY-ZDUSSCGKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-phenyl-2-(pyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: (1S)-1-phenyl-2-(pyridin-2-yl)ethanamine
• Synonyms: Lanicemine

Database IDs

• CAS Number: 153322-05-5
• PubChem SID: 162222329
• PubChem CID: 9794203
• Wikipedia Title: Lanicemine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.01628
• LogD (pH = 7.4): -0.08548736
• Log P: 1.9840666
• Molar Refractivity: 60.8345 cm^3
• Polarizability: 24.208086 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true