2-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-amine dihydrochloride

• ChemBase ID: 258371
• Molecular Formular: C11H18Cl2N2
• Molecular Mass: 249.18002
• Monoisotopic Mass: 248.08470395
• SMILES: N1(c2c(CC1C)cccc2)CCN.Cl.Cl
• Canonical SMILES: NCCN1C(C)Cc2c1cccc2.Cl.Cl
• InChI: InChI=1S/C11H16N2.2ClH/c1-9-8-10-4-2-3-5-11(10)13(9)7-6-12;;/h2-5,9H,6-8,12H2,1H3;2*1H
• InChIKey: UROMDQAZHRTFIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-amine dihydrochloride
• IUPAC Traditional name: 2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine dihydrochloride
• Synonyms: 2-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanamine dihydrochloride

Database IDs

• MDL Number: MFCD11857801
• PubChem SID: 164314281
• PubChem CID: 43810757

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2573754
• LogD (pH = 7.4): -0.40937886
• Log P: 1.7407694
• Molar Refractivity: 56.1648 cm^3
• Polarizability: 21.422655 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 190 - 192°C
• Hydrophobicity(logP): 2.335

Product Information

• Purity: 95%