(4-ethoxy-3,5-dimethoxyphenyl)methanamine

• ChemBase ID: 266059
• Molecular Formular: C11H17NO3
• Molecular Mass: 211.25758
• Monoisotopic Mass: 211.12084341
• SMILES: c1(c(cc(cc1OC)CN)OC)OCC
• Canonical SMILES: CCOc1c(OC)cc(cc1OC)CN
• InChI: InChI=1S/C11H17NO3/c1-4-15-11-9(13-2)5-8(7-12)6-10(11)14-3/h5-6H,4,7,12H2,1-3H3
• InChIKey: BLKUCJOTSGIEQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-ethoxy-3,5-dimethoxyphenyl)methanamine
• IUPAC Traditional name: (4-ethoxy-3,5-dimethoxyphenyl)methanamine
• Synonyms: (4-ethoxy-3,5-dimethoxyphenyl)methanamine

Database IDs

• MDL Number: MFCD12189308
• PubChem SID: 164321969
• PubChem CID: 43516484

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9886539
• LogD (pH = 7.4): -0.93691814
• Log P: 0.9828084
• Molar Refractivity: 58.6696 cm^3
• Polarizability: 23.089548 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.923

Product Information

• Purity: 95%