1-ethyl-2,3-dihydro-1H-indol-6-amine

• ChemBase ID: 269672
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: c12N(CCc2ccc(c1)N)CC
• Canonical SMILES: CCN1CCc2c1cc(N)cc2
• InChI: InChI=1S/C10H14N2/c1-2-12-6-5-8-3-4-9(11)7-10(8)12/h3-4,7H,2,5-6,11H2,1H3
• InChIKey: DASPMFXHFCNQHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-2,3-dihydro-1H-indol-6-amine
• IUPAC Traditional name: 1-ethyl-2,3-dihydroindol-6-amine
• Synonyms: 1-ethyl-2,3-dihydro-1H-indol-6-amine

Database IDs

• MDL Number: MFCD11137693
• PubChem SID: 164325582
• PubChem CID: 18459493

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4177732
• LogD (pH = 7.4): 1.6452214
• Log P: 1.6490601
• Molar Refractivity: 53.2452 cm^3
• Polarizability: 19.176939 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.864

Product Information

• Purity: 95%