2-(3-methoxyphenyl)propan-2-amine

• ChemBase ID: 307921
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(C(N)(C)C)cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)C(N)(C)C
• InChI: InChI=1S/C10H15NO/c1-10(2,11)8-5-4-6-9(7-8)12-3/h4-7H,11H2,1-3H3
• InChIKey: XJRLZIBKKHJOHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenyl)propan-2-amine
• IUPAC Traditional name: 2-(3-methoxyphenyl)propan-2-amine
• Synonyms: 2-(3-methoxyphenyl)propan-2-amine

Database IDs

• CAS Number: 109138-28-5
• MDL Number: MFCD09864419

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3759744
• LogD (pH = 7.4): -0.7439307
• Log P: 1.6384947
• Molar Refractivity: 50.0516 cm^3
• Polarizability: 19.91201 Å^3
• Polar Surface Area: 35.25 Å^2