N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 310915
• Molecular Formular: C19H23NO2
• Molecular Mass: 297.39142
• Monoisotopic Mass: 297.17287898
• SMILES: c1(c(cc(cc1)OC)OC)CNC1c2c(CCC1)cccc2
• Canonical SMILES: COc1cc(OC)ccc1CNC1CCCc2c1cccc2
• InChI: InChI=1S/C19H23NO2/c1-21-16-11-10-15(19(12-16)22-2)13-20-18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-12,18,20H,5,7,9,13H2,1-2H3
• InChIKey: STSLPNQNBVMGPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: (2,4-dimethoxybenzyl)1,2,3,4-tetrahydronaphthalen-1-ylamine

Database IDs

• CAS Number: 356092-37-0
• MDL Number: MFCD01654046

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0103287
• LogD (pH = 7.4): 2.6142156
• Log P: 3.9295182
• Molar Refractivity: 89.0268 cm^3
• Polarizability: 34.90168 Å^3
• Polar Surface Area: 30.49 Å^2