2-(4-methoxyphenyl)propan-2-amine

• ChemBase ID: 52930
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(ccc(cc1)C(N)(C)C)OC
• Canonical SMILES: COc1ccc(cc1)C(N)(C)C
• InChI: InChI=1S/C10H15NO/c1-10(2,11)8-4-6-9(12-3)7-5-8/h4-7H,11H2,1-3H3
• InChIKey: RITIBMKMOLMSPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)propan-2-amine
• IUPAC Traditional name: 2-(4-methoxyphenyl)propan-2-amine
• Synonyms: 2-(4-Methoxyphenyl)propan-2-amine

Database IDs

• CAS Number: 30568-44-6
• MDL Number: MFCD08059933
• PubChem SID: 162057693
• PubChem CID: 11008278

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3786727
• LogD (pH = 7.4): -0.7965556
• Log P: 1.6384947
• Molar Refractivity: 50.0516 cm^3
• Polarizability: 19.911972 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 98%