[2-amino-1-(1-methyl-1H-indol-3-yl)ethyl]dimethylamine

• ChemBase ID: 118308
• Molecular Formular: C13H19N3
• Molecular Mass: 217.31006
• Monoisotopic Mass: 217.15789762
• SMILES: c1(cn(c2c1cccc2)C)C(N(C)C)CN
• Canonical SMILES: NCC(c1cn(c2c1cccc2)C)N(C)C
• InChI: InChI=1S/C13H19N3/c1-15(2)13(8-14)11-9-16(3)12-7-5-4-6-10(11)12/h4-7,9,13H,8,14H2,1-3H3
• InChIKey: ZJZKBTKAHBXKSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-amino-1-(1-methyl-1H-indol-3-yl)ethyl]dimethylamine
• IUPAC Traditional name: [2-amino-1-(1-methylindol-3-yl)ethyl]dimethylamine
• Synonyms: N~1~,N~1~-dimethyl-1-(1-methyl-1H-indol-3-yl)ethane-1,2-diamine

Database IDs

• MDL Number: MFCD01211520
• PubChem SID: 162099210
• PubChem CID: 71299800

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.813912
• LogD (pH = 7.4): -0.4975727
• Log P: 1.4998639
• Molar Refractivity: 68.2039 cm^3
• Polarizability: 27.815222 Å^3
• Polar Surface Area: 34.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.916

Product Information

• Purity: 95+%