methyl[(1-methyl-2,3-dihydro-1H-indol-5-yl)methyl]amine

• ChemBase ID: 77447
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: N1(CCc2c1ccc(c2)CNC)C
• Canonical SMILES: CNCc1ccc2c(c1)CCN2C
• InChI: InChI=1S/C11H16N2/c1-12-8-9-3-4-11-10(7-9)5-6-13(11)2/h3-4,7,12H,5-6,8H2,1-2H3
• InChIKey: QPUPWFNEDMKWGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1-methyl-2,3-dihydro-1H-indol-5-yl)methyl]amine
• IUPAC Traditional name: methyl[(1-methyl-2,3-dihydroindol-5-yl)methyl]amine
• Synonyms: 2,3-Dihydro-1-methyl-5-[(methylamino)methyl]-1H-indole; 1-(2,3-Dihydro-1-methyl-1H-indol-5-yl)-N-methylmethylamine; 1-Methyl-5-[(methylamino)methyl]indoline; N-methyl-(1-methylindolin-5-yl)methylamine

Database IDs

• CAS Number: 906352-81-6
• MDL Number: MFCD09817499
• PubChem SID: 162042319
• PubChem CID: 24229592

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5344485
• LogD (pH = 7.4): -0.6836825
• Log P: 1.679527
• Molar Refractivity: 57.0442 cm^3
• Polarizability: 21.418152 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 90%