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

• ChemBase ID: 265138
• Molecular Formular: C11H14N2
• Molecular Mass: 174.24226
• Monoisotopic Mass: 174.11569846
• SMILES: n1(c2c(cc1)cc(cc2)N)CCC
• Canonical SMILES: CCCn1ccc2c1ccc(c2)N
• InChI: InChI=1S/C11H14N2/c1-2-6-13-7-5-9-8-10(12)3-4-11(9)13/h3-5,7-8H,2,6,12H2,1H3
• InChIKey: XYDQVZSFIQOGEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11213963
• PubChem SID: 164321048
• PubChem CID: 19016484

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%