methyl[(2S)-1-phenylpropan-2-yl](prop-2-yn-1-yl)amine

• ChemBase ID: 126846
• Molecular Formular: C13H17N
• Molecular Mass: 187.28078
• Monoisotopic Mass: 187.13609955
• SMILES: C#CCN([C@H](Cc1ccccc1)C)C
• Canonical SMILES: C[C@H](N(CC#C)C)Cc1ccccc1
• InChI: InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m0/s1
• InChIKey: MEZLKOACVSPNER-LBPRGKRZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(2S)-1-phenylpropan-2-yl](prop-2-yn-1-yl)amine
• IUPAC Traditional name: methyl[(2S)-1-phenylpropan-2-yl]prop-2-yn-1-ylamine
• Synonyms: D-Deprenyl

Database IDs

• CAS Number: 4528-51-2
• PubChem SID: 162221173
• PubChem CID: 199605
• Chemspider ID: 172774
• Wikipedia Title: D-Deprenyl

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.15821154
• LogD (pH = 7.4): 1.5548966
• Log P: 2.847962
• Molar Refractivity: 61.3547 cm^3
• Polarizability: 23.641752 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true