(2S)-1-(2-methoxyphenyl)propan-2-amine

• ChemBase ID: 281792
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(C[C@@H](N)C)c(OC)cccc1
• Canonical SMILES: COc1ccccc1C[C@@H](N)C
• InChI: InChI=1S/C10H15NO/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6,8H,7,11H2,1-2H3/t8-/m0/s1
• InChIKey: VBAHFEPKESUPDE-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-1-(2-methoxyphenyl)propan-2-amine
• IUPAC Traditional name: (2S)-1-(2-methoxyphenyl)propan-2-amine
• Synonyms: (2S)-1-(2-methoxyphenyl)propan-2-amine

Database IDs

• MDL Number: MFCD14705963
• PubChem SID: 180667323
• PubChem CID: 6992813

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3697842
• LogD (pH = 7.4): -0.77214295
• Log P: 1.6465793
• Molar Refractivity: 50.1684 cm^3
• Polarizability: 19.836973 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.661

Product Information

• Purity: 95%