2-(6-methyl-1-propyl-1H-indol-3-yl)ethan-1-amine

• ChemBase ID: 277599
• Molecular Formular: C14H20N2
• Molecular Mass: 216.322
• Monoisotopic Mass: 216.16264865
• SMILES: n1(c2c(c(c1)CCN)ccc(c2)C)CCC
• Canonical SMILES: CCCn1cc(c2c1cc(C)cc2)CCN
• InChI: InChI=1S/C14H20N2/c1-3-8-16-10-12(6-7-15)13-5-4-11(2)9-14(13)16/h4-5,9-10H,3,6-8,15H2,1-2H3
• InChIKey: WPIVVZQDANJEIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methyl-1-propyl-1H-indol-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(6-methyl-1-propylindol-3-yl)ethanamine
• Synonyms: 2-(6-methyl-1-propyl-1H-indol-3-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD19686474
• PubChem SID: 164333509
• PubChem CID: 54594681

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.096257046
• LogD (pH = 7.4): 0.8462138
• Log P: 3.1028652
• Molar Refractivity: 69.5834 cm^3
• Polarizability: 27.986902 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.446

Product Information

• Purity: 95%