bis[(3,4-dimethoxyphenyl)methyl]amine

• ChemBase ID: 182086
• Molecular Formular: C18H23NO4
• Molecular Mass: 317.37952
• Monoisotopic Mass: 317.16270822
• SMILES: c1(c(ccc(c1)CNCc1cc(c(cc1)OC)OC)OC)OC
• Canonical SMILES: COc1cc(CNCc2ccc(c(c2)OC)OC)ccc1OC
• InChI: InChI=1S/C18H23NO4/c1-20-15-7-5-13(9-17(15)22-3)11-19-12-14-6-8-16(21-2)18(10-14)23-4/h5-10,19H,11-12H2,1-4H3
• InChIKey: ZAHBSOCTGNBCSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[(3,4-dimethoxyphenyl)methyl]amine
• IUPAC Traditional name: bis[(3,4-dimethoxyphenyl)methyl]amine

Database IDs

• PubChem SID: 164237996
• PubChem CID: 714966

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.27215326
• LogD (pH = 7.4): 1.3480439
• Log P: 2.6253827
• Molar Refractivity: 89.7714 cm^3
• Polarizability: 35.196625 Å^3
• Polar Surface Area: 48.95 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds