4-methoxy-2,3-dihydro-1H-inden-2-amine

• ChemBase ID: 814352
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: C1(Cc2cccc(c2C1)OC)N
• Canonical SMILES: COc1cccc2c1CC(C2)N
• InChI: InChI=1S/C10H13NO/c1-12-10-4-2-3-7-5-8(11)6-9(7)10/h2-4,8H,5-6,11H2,1H3
• InChIKey: NHXLOUDLYDYZQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-2,3-dihydro-1H-inden-2-amine
• IUPAC Traditional name: 4-methoxy-2,3-dihydro-1H-inden-2-amine
• Synonyms: 4-methoxy-2,3-dihydro-1H-inden-2-amine

Database IDs

• CAS Number: 76413-92-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6844068
• LogD (pH = 7.4): -1.045413
• Log P: 1.3296598
• Molar Refractivity: 48.7294 cm^3
• Polarizability: 19.018494 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%