[3-(2-methoxyethoxy)phenyl]methanamine

• ChemBase ID: 31650
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1c(OCCOC)cccc1CN
• Canonical SMILES: COCCOc1cccc(c1)CN
• InChI: InChI=1S/C10H15NO2/c1-12-5-6-13-10-4-2-3-9(7-10)8-11/h2-4,7H,5-6,8,11H2,1H3
• InChIKey: LFJMLEFCFRQLPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(2-methoxyethoxy)phenyl]methanamine
• IUPAC Traditional name: [3-(2-methoxyethoxy)phenyl]methanamine
• Synonyms: 3-(2-Methoxy-ethoxy)-benzylamine; [3-(2-methoxyethoxy)phenyl]methanamine; 1-[3-(2-methoxyethoxy)phenyl]methanamine

Database IDs

• CAS Number: 919016-97-0
• MDL Number: MFCD08690185
• PubChem SID: 160994957
• PubChem CID: 20118683

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0861022
• LogD (pH = 7.4): -1.091781
• Log P: 0.89436746
• Molar Refractivity: 52.0381 cm^3
• Polarizability: 20.584024 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.763

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%