(5-methoxy-2,3-dihydro-1H-inden-1-yl)methanamine

• ChemBase ID: 125148
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: NCC1CCc2c1ccc(OC)c2
• Canonical SMILES: NCC1CCc2c1ccc(c2)OC
• InChI: InChI=1S/C11H15NO/c1-13-10-4-5-11-8(6-10)2-3-9(11)7-12/h4-6,9H,2-3,7,12H2,1H3
• InChIKey: WPBKCMLYKMDWRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methoxy-2,3-dihydro-1H-inden-1-yl)methanamine
• IUPAC Traditional name: 1-aminomethyl-5-methoxyindane
• Synonyms: 1-Aminomethyl-5-methoxyindane; (5-METHOXY-2,3-DIHYDRO-1H-INDEN-1-YL)METHANAMINE

Database IDs

• PubChem SID: 162219498
• PubChem CID: 45091234
• Chemspider ID: 24205063
• Wikipedia Title: 1-Aminomethyl-5-methoxyindane

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3671257
• LogD (pH = 7.4): -0.69104475
• Log P: 1.6446725
• Molar Refractivity: 53.4602 cm^3
• Polarizability: 20.862396 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled

Product Information

• Purity: 98%