2-(2,3-dihydro-1H-indol-1-yl)ethan-1-amine hydrochloride

• ChemBase ID: 33040
• Molecular Formular: C10H15ClN2
• Molecular Mass: 198.6925
• Monoisotopic Mass: 198.09237617
• SMILES: N1(c2c(CC1)cccc2)CCN.Cl
• Canonical SMILES: NCCN1CCc2c1cccc2.Cl
• InChI: InChI=1S/C10H14N2.ClH/c11-6-8-12-7-5-9-3-1-2-4-10(9)12;/h1-4H,5-8,11H2;1H
• InChIKey: JEJMJDSCENNHIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-indol-1-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(2,3-dihydroindol-1-yl)ethanamine hydrochloride
• Synonyms: 2-(2,3-Dihydro-1H-indol-1-yl)ethanamine hydrochloride

Database IDs

• MDL Number: MFCD11696438
• PubChem SID: 160996347
• PubChem CID: 44118460

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.673983
• LogD (pH = 7.4): -0.82626426
• Log P: 1.3241944
• Molar Refractivity: 51.746 cm^3
• Polarizability: 19.5765 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false