(2,4,6-trimethoxyphenyl)methanamine

• ChemBase ID: 259829
• Molecular Formular: C10H15NO3
• Molecular Mass: 197.231
• Monoisotopic Mass: 197.10519335
• SMILES: c1(c(cc(cc1OC)OC)OC)CN
• Canonical SMILES: COc1cc(OC)cc(c1CN)OC
• InChI: InChI=1S/C10H15NO3/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-5H,6,11H2,1-3H3
• InChIKey: MEWBOZDQQISMJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4,6-trimethoxyphenyl)methanamine
• IUPAC Traditional name: (2,4,6-trimethoxyphenyl)methanamine
• Synonyms: (2,4,6-trimethoxyphenyl)methanamine

Database IDs

• CAS Number: 146548-59-6
• MDL Number: MFCD03411012
• PubChem SID: 164315739
• PubChem CID: 688109

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0535522
• LogD (pH = 7.4): -0.44100448
• Log P: 0.62600046
• Molar Refractivity: 53.921 cm^3
• Polarizability: 21.24808 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.094

Product Information

• Purity: 95%