1-benzyl-2,3-dihydro-1H-indol-5-amine

• ChemBase ID: 262750
• Molecular Formular: C15H16N2
• Molecular Mass: 224.30094
• Monoisotopic Mass: 224.13134852
• SMILES: N1(c2c(cc(cc2)N)CC1)Cc1ccccc1
• Canonical SMILES: Nc1ccc2c(c1)CCN2Cc1ccccc1
• InChI: InChI=1S/C15H16N2/c16-14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,16H2
• InChIKey: RXWRAZGLVOCTDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-2,3-dihydro-1H-indol-5-amine
• IUPAC Traditional name: 1-benzyl-2,3-dihydroindol-5-amine
• Synonyms: 1-benzyl-2,3-dihydro-1H-indol-5-amine

Database IDs

• MDL Number: MFCD11137603
• PubChem SID: 164318660
• PubChem CID: 43189445

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4113925
• LogD (pH = 7.4): 3.0002155
• Log P: 3.0167253
• Molar Refractivity: 73.1092 cm^3
• Polarizability: 26.958899 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.103

Product Information

• Purity: 95%