2-(2-methoxyphenyl)propan-2-amine

• ChemBase ID: 270134
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(C(N)(C)C)c(OC)cccc1
• Canonical SMILES: COc1ccccc1C(N)(C)C
• InChI: InChI=1S/C10H15NO/c1-10(2,11)8-6-4-5-7-9(8)12-3/h4-7H,11H2,1-3H3
• InChIKey: YRVVAFHIEPYATJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 74702-94-6
• MDL Number: MFCD09903845
• PubChem SID: 164326044
• PubChem CID: 15310856

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3433217
• LogD (pH = 7.4): -0.35840896
• Log P: 1.6384947
• Molar Refractivity: 50.0516 cm^3
• Polarizability: 19.912262 Å^3
• Polar Surface Area: 35.25 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.721

Product Information

• Purity: 95%; 98%