N-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride

• ChemBase ID: 806484
• Molecular Formular: C18H22ClNO
• Molecular Mass: 303.82638
• Monoisotopic Mass: 303.13899201
• SMILES: Cl.c1cc2c(cc1OC)CCC(C2)NCc1ccccc1
• Canonical SMILES: COc1ccc2c(c1)CCC(C2)NCc1ccccc1.Cl
• InChI: InChI=1S/C18H21NO.ClH/c1-20-18-10-8-15-11-17(9-7-16(15)12-18)19-13-14-5-3-2-4-6-14;/h2-6,8,10,12,17,19H,7,9,11,13H2,1H3;1H
• InChIKey: HOTJQMQQQZBZRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
• IUPAC Traditional name: N-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
• Synonyms: N-BENZYL-6-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALEN-2-AMINE HYDROCHLORIDE

Database IDs

• CAS Number: 150871-47-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.71028155
• LogD (pH = 7.4): 1.3821591
• Log P: 3.931282
• Molar Refractivity: 82.7176 cm^3
• Polarizability: 32.338154 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%