2-ethyl-2,3-dihydro-1H-isoindol-4-amine

• ChemBase ID: 247328
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: c12c(CN(C1)CC)cccc2N
• Canonical SMILES: CCN1Cc2c(C1)cccc2N
• InChI: InChI=1S/C10H14N2/c1-2-12-6-8-4-3-5-10(11)9(8)7-12/h3-5H,2,6-7,11H2,1H3
• InChIKey: YNDISBLRDVYNQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD10007251
• PubChem SID: 164303238
• PubChem CID: 24278637

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4448907
• LogD (pH = 7.4): 0.3292752
• Log P: 1.1937519
• Molar Refractivity: 52.6043 cm^3
• Polarizability: 19.650648 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.784

Product Information

• Purity: 95%