1-(1-benzofuran-5-yl)propan-2-amine

• ChemBase ID: 125475
• Molecular Formular: C11H13NO
• Molecular Mass: 175.22702
• Monoisotopic Mass: 175.09971404
• SMILES: CC(N)Cc1cc2ccoc2cc1
• Canonical SMILES: CC(Cc1ccc2c(c1)cco2)N
• InChI: InChI=1S/C11H13NO/c1-8(12)6-9-2-3-11-10(7-9)4-5-13-11/h2-5,7-8H,6,12H2,1H3
• InChIKey: VKUMKUZDZWHMQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-benzofuran-5-yl)propan-2-amine
• IUPAC Traditional name: 5-apb
• Synonyms: 5-APB

Database IDs

• CAS Number: 286834-80-8
• PubChem SID: 162219825
• PubChem CID: 9837232
• Chemspider ID: 8012953
• Wikipedia Title: 5-APB

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0547774
• LogD (pH = 7.4): -0.49249327
• Log P: 1.9633739
• Molar Refractivity: 52.5463 cm^3
• Polarizability: 21.736517 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: Uncontrolled