2-(3-methoxyphenoxy)propan-1-amine hydrochloride

• ChemBase ID: 801359
• Molecular Formular: C10H16ClNO2
• Molecular Mass: 217.69254
• Monoisotopic Mass: 217.08695644
• SMILES: Cl.C(C(C)Oc1cc(ccc1)OC)N
• Canonical SMILES: NCC(Oc1cccc(c1)OC)C.Cl
• InChI: InChI=1S/C10H15NO2.ClH/c1-8(7-11)13-10-5-3-4-9(6-10)12-2;/h3-6,8H,7,11H2,1-2H3;1H
• InChIKey: XWYZSIZSYAKQGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenoxy)propan-1-amine hydrochloride
• IUPAC Traditional name: 2-(3-methoxyphenoxy)propan-1-amine hydrochloride
• Synonyms: 2-(3-METHOXYPHENOXY)PROPAN-1-AMINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6906573
• LogD (pH = 7.4): -0.619909
• Log P: 1.2774945
• Molar Refractivity: 51.353 cm^3
• Polarizability: 20.572031 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%