1-methyl-5-[(1Z)-1-phenylprop-1-en-2-yl]-2,3-dihydro-1H-indole

• ChemBase ID: 191651
• Molecular Formular: C18H19N
• Molecular Mass: 249.35016
• Monoisotopic Mass: 249.15174961
• SMILES: N1(c2c(cc(/C(=C\c3ccccc3)/C)cc2)CC1)C
• Canonical SMILES: C/C(=C/c1ccccc1)/c1ccc2c(c1)CCN2C
• InChI: InChI=1S/C18H19N/c1-14(12-15-6-4-3-5-7-15)16-8-9-18-17(13-16)10-11-19(18)2/h3-9,12-13H,10-11H2,1-2H3/b14-12-
• InChIKey: GOIRTNHLSVEQQC-OWBHPGMISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-5-[(1Z)-1-phenylprop-1-en-2-yl]-2,3-dihydro-1H-indole
• IUPAC Traditional name: 1-methyl-5-[(1Z)-1-phenylprop-1-en-2-yl]-2,3-dihydroindole

Database IDs

• PubChem SID: 164247561
• PubChem CID: 16397699

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.7473507
• LogD (pH = 7.4): 4.7602468
• Log P: 4.7604136
• Molar Refractivity: 83.533 cm^3
• Polarizability: 31.314266 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds