1-propyl-1H-indol-5-amine hydrochloride

• ChemBase ID: 264781
• Molecular Formular: C11H15ClN2
• Molecular Mass: 210.7032
• Monoisotopic Mass: 210.09237617
• SMILES: n1(c2c(cc1)cc(cc2)N)CCC.Cl
• Canonical SMILES: CCCn1ccc2c1ccc(c2)N.Cl
• InChI: InChI=1S/C11H14N2.ClH/c1-2-6-13-7-5-9-8-10(12)3-4-11(9)13;/h3-5,7-8H,2,6,12H2,1H3;1H
• InChIKey: WZBJDDLSKXDWND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-propyl-1H-indol-5-amine hydrochloride
• IUPAC Traditional name: 1-propylindol-5-amine hydrochloride
• Synonyms: 1-propyl-1H-indol-5-amine hydrochloride

Database IDs

• MDL Number: MFCD14705634
• PubChem SID: 164320691
• PubChem CID: 47002284

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3375926
• LogD (pH = 7.4): 2.3459802
• Log P: 2.3460882
• Molar Refractivity: 56.0142 cm^3
• Polarizability: 22.197628 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.654

Product Information

• Purity: 95%