1,2-dimethyl-1H-indol-5-amine

• ChemBase ID: 31187
• Molecular Formular: C10H12N2
• Molecular Mass: 160.21568
• Monoisotopic Mass: 160.10004839
• SMILES: n1(c(cc2c1ccc(c2)N)C)C
• Canonical SMILES: Nc1ccc2c(c1)cc(n2C)C
• InChI: InChI=1S/C10H12N2/c1-7-5-8-6-9(11)3-4-10(8)12(7)2/h3-6H,11H2,1-2H3
• InChIKey: KCRFAMHLOPLVJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dimethyl-1H-indol-5-amine
• IUPAC Traditional name: 1,2-dimethylindol-5-amine
• Synonyms: 1,2-dimethyl-1H-indol-5-amine; 1,2-Dimethyl-1H-indol-5-ylamine

Database IDs

• CAS Number: 7570-48-1
• MDL Number: MFCD07801187
• PubChem SID: 160994494
• PubChem CID: 6484710

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6578395
• LogD (pH = 7.4): 1.6662115
• Log P: 1.6663193
• Molar Refractivity: 51.8913 cm^3
• Polarizability: 20.266108 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false