[4-(3,5-dimethoxyphenoxy)phenyl]methanamine

• ChemBase ID: 281658
• Molecular Formular: C15H17NO3
• Molecular Mass: 259.30038
• Monoisotopic Mass: 259.12084341
• SMILES: c1(cc(cc(c1)OC)OC)Oc1ccc(cc1)CN
• Canonical SMILES: COc1cc(Oc2ccc(cc2)CN)cc(c1)OC
• InChI: InChI=1S/C15H17NO3/c1-17-13-7-14(18-2)9-15(8-13)19-12-5-3-11(10-16)4-6-12/h3-9H,10,16H2,1-2H3
• InChIKey: KPYDFRSZSYCQKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(3,5-dimethoxyphenoxy)phenyl]methanamine
• IUPAC Traditional name: [4-(3,5-dimethoxyphenoxy)phenyl]methanamine
• Synonyms: 1-[4-(3,5-dimethoxyphenoxy)phenyl]methanamine

Database IDs

• MDL Number: MFCD12534058
• PubChem SID: 180667189
• PubChem CID: 17819155

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.70179135
• LogD (pH = 7.4): 0.2541929
• Log P: 2.283959
• Molar Refractivity: 73.6986 cm^3
• Polarizability: 29.054869 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.2

Product Information

• Purity: 95%