1-ethyl-1H-indol-5-amine hydrochloride

• ChemBase ID: 264782
• Molecular Formular: C10H13ClN2
• Molecular Mass: 196.67662
• Monoisotopic Mass: 196.07672611
• SMILES: n1(c2c(cc1)cc(cc2)N)CC.Cl
• Canonical SMILES: CCn1ccc2c1ccc(c2)N.Cl
• InChI: InChI=1S/C10H12N2.ClH/c1-2-12-6-5-8-7-9(11)3-4-10(8)12;/h3-7H,2,11H2,1H3;1H
• InChIKey: PUKJOJOBKVNBLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-1H-indol-5-amine hydrochloride
• IUPAC Traditional name: 1-ethylindol-5-amine hydrochloride
• Synonyms: 1-ethyl-1H-indol-5-amine hydrochloride

Database IDs

• MDL Number: MFCD14705635
• PubChem SID: 164320692
• PubChem CID: 47002285

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8151821
• LogD (pH = 7.4): 1.8234593
• Log P: 1.8235658
• Molar Refractivity: 51.4902 cm^3
• Polarizability: 20.350859 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.125

Product Information

• Purity: 95%