[2-(1H-indol-1-yl)ethyl](methyl)amine

• ChemBase ID: 15860
• Molecular Formular: C11H14N2
• Molecular Mass: 174.24226
• Monoisotopic Mass: 174.11569846
• SMILES: c1cn(c2c1cccc2)CCNC
• Canonical SMILES: CNCCn1ccc2c1cccc2
• InChI: InChI=1S/C11H14N2/c1-12-7-9-13-8-6-10-4-2-3-5-11(10)13/h2-6,8,12H,7,9H2,1H3
• InChIKey: UQUBPLJUCVWGOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(1H-indol-1-yl)ethyl](methyl)amine
• IUPAC Traditional name: [2-(indol-1-yl)ethyl](methyl)amine
• Synonyms: [2-(1H-Indol-1-yl)ethyl]methylamine; 2-(1H-indol-1-yl)-N-methylethanamine

Database IDs

• CAS Number: 148806-52-4
• MDL Number: MFCD03828193
• PubChem SID: 160979167
• PubChem CID: 541921

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2934343
• LogD (pH = 7.4): -0.68507373
• Log P: 1.9312805
• Molar Refractivity: 54.7656 cm^3
• Polarizability: 22.616915 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false