(1R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride

• ChemBase ID: 121602
• Molecular Formular: C17H18Cl3N
• Molecular Mass: 342.69052
• Monoisotopic Mass: 341.05048262
• SMILES: c12[C@@H](c3cc(c(cc3)Cl)Cl)CC[C@H](c1cccc2)NC.Cl
• Canonical SMILES: CN[C@@H]1CC[C@@H](c2c1cccc2)c1ccc(c(c1)Cl)Cl.Cl
• InChI: InChI=1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H/t12-,17-;/m1./s1
• InChIKey: BLFQGGGGFNSJKA-JSUROZADSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
• IUPAC Traditional name: (1R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
• Synonyms: (1R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride

Database IDs

• PubChem SID: 162215955
• PubChem CID: 13408688

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9396342
• LogD (pH = 7.4): 2.759919
• Log P: 5.1493
• Molar Refractivity: 85.741 cm^3
• Polarizability: 33.5986 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Salt Data: HCl