(1-methyl-1H-indol-2-yl)methanamine

• ChemBase ID: 15631
• Molecular Formular: C10H12N2
• Molecular Mass: 160.21568
• Monoisotopic Mass: 160.10004839
• SMILES: c1ccc2c(c1)n(c(c2)CN)C
• Canonical SMILES: NCc1cc2c(n1C)cccc2
• InChI: InChI=1S/C10H12N2/c1-12-9(7-11)6-8-4-2-3-5-10(8)12/h2-6H,7,11H2,1H3
• InChIKey: BJLPAXGOFMVSJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1H-indol-2-yl)methanamine
• IUPAC Traditional name: (1-methylindol-2-yl)methanamine
• Synonyms: [(1-Methyl-1H-indol-2-yl)methyl]amine; (1-Methyl-1H-indol-2-yl)methylamine; 2-(Aminomethyl)-1-methyl-1H-indole

Database IDs

• MDL Number: MFCD06801045
• PubChem SID: 160978938
• PubChem CID: 14196946

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.556687
• LogD (pH = 7.4): -0.22618885
• Log P: 1.3414534
• Molar Refractivity: 50.3921 cm^3
• Polarizability: 20.767557 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful; IRRITANT
• TSCA Listed: false