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

• ChemBase ID: 310887
• Molecular Formular: C19H23NO2
• Molecular Mass: 297.39142
• Monoisotopic Mass: 297.17287898
• SMILES: c1(c(CNC2c3c(CCC2)cccc3)cccc1OC)OC
• Canonical SMILES: COc1c(CNC2CCCc3c2cccc3)cccc1OC
• InChI: InChI=1S/C19H23NO2/c1-21-18-12-6-9-15(19(18)22-2)13-20-17-11-5-8-14-7-3-4-10-16(14)17/h3-4,6-7,9-10,12,17,20H,5,8,11,13H2,1-2H3
• InChIKey: BVXPLFANJOANFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 353773-37-2
• MDL Number: MFCD02051601

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0345246
• LogD (pH = 7.4): 2.6565232
• Log P: 3.9295182
• Molar Refractivity: 89.0268 cm^3
• Polarizability: 34.903267 Å^3
• Polar Surface Area: 30.49 Å^2