1-[(1-aminopropan-2-yl)oxy]-2-methoxybenzene

• ChemBase ID: 284001
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1(OC(CN)C)c(OC)cccc1
• Canonical SMILES: NCC(Oc1ccccc1OC)C
• InChI: InChI=1S/C10H15NO2/c1-8(7-11)13-10-6-4-3-5-9(10)12-2/h3-6,8H,7,11H2,1-2H3
• InChIKey: BIWHLVXMIXGLJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-aminopropan-2-yl)oxy]-2-methoxybenzene; 2-(2-methoxyphenoxy)propan-1-amine
• IUPAC Traditional name: 1-[(1-aminopropan-2-yl)oxy]-2-methoxybenzene; 2-(2-methoxyphenoxy)propan-1-amine
• Synonyms: 1-[(1-aminopropan-2-yl)oxy]-2-methoxybenzene; 2-(2-METHOXY-PHENOXY)-PROPYLAMINE

Database IDs

• CAS Number: 6440-87-5
• MDL Number: MFCD07374159
• PubChem SID: 180669532
• PubChem CID: 21703083

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6906481
• LogD (pH = 7.4): -0.61984825
• Log P: 1.2774945
• Molar Refractivity: 51.353 cm^3
• Polarizability: 20.573565 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.31

Product Information

• Purity: 95%; 98%