methyl[(1-nonyl-1H-indol-4-yl)methyl]amine hydrochloride

• ChemBase ID: 246761
• Molecular Formular: C19H31ClN2
• Molecular Mass: 322.91584
• Monoisotopic Mass: 322.21757668
• SMILES: n1(c2c(cc1)c(CNC)ccc2)CCCCCCCCC.Cl
• Canonical SMILES: CCCCCCCCCn1ccc2c1cccc2CNC.Cl
• InChI: InChI=1S/C19H30N2.ClH/c1-3-4-5-6-7-8-9-14-21-15-13-18-17(16-20-2)11-10-12-19(18)21;/h10-13,15,20H,3-9,14,16H2,1-2H3;1H
• InChIKey: BEKXWCQWHUJVAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1-nonyl-1H-indol-4-yl)methyl]amine hydrochloride
• IUPAC Traditional name: methyl[(1-nonylindol-4-yl)methyl]amine hydrochloride
• Synonyms: methyl[(1-nonyl-1H-indol-4-yl)methyl]amine hydrochloride

Database IDs

• PubChem SID: 164302671
• PubChem CID: 71758070

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1865594
• LogD (pH = 7.4): 2.953695
• Log P: 5.400775
• Molar Refractivity: 92.1678 cm^3
• Polarizability: 37.38553 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 6.198

Product Information

• Purity: 95%