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

• ChemBase ID: 238228
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: c12c(C(CC1)N)cccc2OC
• Canonical SMILES: COc1cccc2c1CCC2N
• InChI: InChI=1S/C10H13NO/c1-12-10-4-2-3-7-8(10)5-6-9(7)11/h2-4,9H,5-6,11H2,1H3
• InChIKey: JMXMRMSUOHVHOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 52372-96-0
• MDL Number: MFCD07373957
• PubChem SID: 164294138
• PubChem CID: 3016741

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.517908
• LogD (pH = 7.4): -0.72918195
• Log P: 1.4855672
• Molar Refractivity: 48.5754 cm^3
• Polarizability: 19.095322 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.427

Product Information

• Purity: 95%; 98%