5-methoxy-2-methyl-2H-indol-2-amine

• ChemBase ID: 128984
• Molecular Formular: C10H12N2O
• Molecular Mass: 176.21508
• Monoisotopic Mass: 176.09496301
• SMILES: CC1(N)C=c2cc(ccc2=N1)OC
• Canonical SMILES: COc1ccc2=NC(C=c2c1)(C)N
• InChI: InChI=1S/C10H12N2O/c1-10(11)6-7-5-8(13-2)3-4-9(7)12-10/h3-6H,11H2,1-2H3
• InChIKey: RXGYDFZAUULBSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-methyl-2H-indol-2-amine
• IUPAC Traditional name: 5-methoxy-2-methylindol-2-amine
• Synonyms: PIM-35

Database IDs

• CAS Number: 130445-55-5
• PubChem SID: 162223286
• PubChem CID: 20978011; 195658
• Chemspider ID: 20476602
• Wikipedia Title: PIM-35

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.43304762
• LogD (pH = 7.4): 0.5972904
• Log P: 0.6551197
• Molar Refractivity: 55.3286 cm^3
• Polarizability: 19.914328 Å^3
• Polar Surface Area: 47.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled