1-propyl-1H-indol-6-amine

• ChemBase ID: 277640
• Molecular Formular: C11H14N2
• Molecular Mass: 174.24226
• Monoisotopic Mass: 174.11569846
• SMILES: n1(c2c(cc1)ccc(c2)N)CCC
• Canonical SMILES: CCCn1ccc2c1cc(N)cc2
• InChI: InChI=1S/C11H14N2/c1-2-6-13-7-5-9-3-4-10(12)8-11(9)13/h3-5,7-8H,2,6,12H2,1H3
• InChIKey: OXIYXXZXJRDGHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-propyl-1H-indol-6-amine
• IUPAC Traditional name: 1-propylindol-6-amine
• Synonyms: 1-propyl-1H-indol-6-amine

Database IDs

• MDL Number: MFCD11638202
• PubChem SID: 164333550
• PubChem CID: 43308928

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3363538
• LogD (pH = 7.4): 2.3459644
• Log P: 2.3460882
• Molar Refractivity: 56.0142 cm^3
• Polarizability: 22.196157 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%