2-[(4-methoxyphenyl)methoxy]ethan-1-amine

• ChemBase ID: 246551
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1(ccc(cc1)COCCN)OC
• Canonical SMILES: NCCOCc1ccc(cc1)OC
• InChI: InChI=1S/C10H15NO2/c1-12-10-4-2-9(3-5-10)8-13-7-6-11/h2-5H,6-8,11H2,1H3
• InChIKey: YNDFLZDLJHOLQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-methoxyphenyl)methoxy]ethan-1-amine
• IUPAC Traditional name: 2-[(4-methoxyphenyl)methoxy]ethanamine
• Synonyms: 2-[(4-methoxyphenyl)methoxy]ethan-1-amine

Database IDs

• MDL Number: MFCD11147572
• PubChem SID: 164302461
• PubChem CID: 28491059

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.088688
• LogD (pH = 7.4): -1.112648
• Log P: 0.89436746
• Molar Refractivity: 52.0381 cm^3
• Polarizability: 20.58243 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.125

Product Information

• Purity: 95%