1-(6-amino-2,3-dihydro-1H-indol-1-yl)-2-(3-methoxyphenyl)ethan-1-one

• ChemBase ID: 268767
• Molecular Formular: C17H18N2O2
• Molecular Mass: 282.33702
• Monoisotopic Mass: 282.13682783
• SMILES: N1(C(=O)Cc2cc(OC)ccc2)c2cc(N)ccc2CC1
• Canonical SMILES: COc1cccc(c1)CC(=O)N1CCc2c1cc(N)cc2
• InChI: InChI=1S/C17H18N2O2/c1-21-15-4-2-3-12(9-15)10-17(20)19-8-7-13-5-6-14(18)11-16(13)19/h2-6,9,11H,7-8,10,18H2,1H3
• InChIKey: SNQRCDKSQSTRJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-amino-2,3-dihydro-1H-indol-1-yl)-2-(3-methoxyphenyl)ethan-1-one
• IUPAC Traditional name: 1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methoxyphenyl)ethanone
• Synonyms: 1-(6-amino-2,3-dihydro-1H-indol-1-yl)-2-(3-methoxyphenyl)ethan-1-one

Database IDs

• MDL Number: MFCD13565433
• PubChem SID: 164324677
• PubChem CID: 28418737

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9546605
• LogD (pH = 7.4): 1.9625518
• Log P: 1.9626534
• Molar Refractivity: 83.232 cm^3
• Polarizability: 31.408497 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.822

Product Information

• Purity: 95%