2-(2,3-dihydro-1H-indol-1-yl)-5-methylaniline

• ChemBase ID: 47706
• Molecular Formular: C15H16N2
• Molecular Mass: 224.30094
• Monoisotopic Mass: 224.13134852
• SMILES: N1(c2c(cc(cc2)C)N)c2c(CC1)cccc2
• Canonical SMILES: Cc1ccc(c(c1)N)N1CCc2c1cccc2
• InChI: InChI=1S/C15H16N2/c1-11-6-7-15(13(16)10-11)17-9-8-12-4-2-3-5-14(12)17/h2-7,10H,8-9,16H2,1H3
• InChIKey: RDDOEJLHBMBTEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-indol-1-yl)-5-methylaniline
• IUPAC Traditional name: 2-(2,3-dihydroindol-1-yl)-5-methylaniline
• Synonyms: 2-(2,3-Dihydro-1H-indol-1-yl)-5-methylphenylamine

Database IDs

• MDL Number: MFCD11645445
• PubChem SID: 162052469
• PubChem CID: 13823324

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.355008
• LogD (pH = 7.4): 3.3611526
• Log P: 3.3612316
• Molar Refractivity: 72.4921 cm^3
• Polarizability: 26.878613 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false