3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine hydrochloride

• ChemBase ID: 105658
• Molecular Formular: C16H16Cl3N
• Molecular Mass: 328.66394
• Monoisotopic Mass: 327.03483256
• SMILES: Cl.CNC1CC(c2ccc(Cl)c(Cl)c2)c2ccccc12
• Canonical SMILES: CNC1CC(c2c1cccc2)c1ccc(c(c1)Cl)Cl.Cl
• InChI: InChI=1S/C16H15Cl2N.ClH/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10;/h2-8,13,16,19H,9H2,1H3;1H
• InChIKey: QICQDZXGZOVTEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine hydrochloride
• IUPAC Traditional name: 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine hydrochloride
• Synonyms: (+)-trans-3-(3,,4-dichlorophenyl)-N-methyl-1-indanamine hydrochloride; INDATRALINE HYDROCHLORIDE

Database IDs

• CAS Number: 96850-13-4
• PubChem SID: 162093638
• PubChem CID: 3020938

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5002608
• LogD (pH = 7.4): 2.3735886
• Log P: 4.7047315
• Molar Refractivity: 81.14 cm^3
• Polarizability: 31.755604 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178-180°C

Safety Information

• Storage Condition: 2-8°C

DETAILS

MP Biomedicals - 02193671

Hydrochloride
Inhibitor of dopamine, norepinephrine and serotonin uptake.