2-(2-methylpropyl)-2,3-dihydro-1H-isoindol-4-amine

• ChemBase ID: 241545
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1(Cc2c(C1)cccc2N)CC(C)C
• Canonical SMILES: CC(CN1Cc2c(C1)cccc2N)C
• InChI: InChI=1S/C12H18N2/c1-9(2)6-14-7-10-4-3-5-12(13)11(10)8-14/h3-5,9H,6-8,13H2,1-2H3
• InChIKey: ZBDAIRHLVCVACH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylpropyl)-2,3-dihydro-1H-isoindol-4-amine
• IUPAC Traditional name: 2-(2-methylpropyl)-1,3-dihydroisoindol-4-amine
• Synonyms: 2-(2-methylpropyl)-2,3-dihydro-1H-isoindol-4-amine

Database IDs

• MDL Number: MFCD10007255
• PubChem SID: 164297455
• PubChem CID: 24278641

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9787723
• LogD (pH = 7.4): 0.7108448
• Log P: 2.081247
• Molar Refractivity: 61.5999 cm^3
• Polarizability: 23.343878 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.712

Product Information

• Purity: 95%