(1R)-6-methoxy-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 811270
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: C1[C@H](c2cc(ccc2C1)OC)N
• Canonical SMILES: COc1ccc2c(c1)[C@H](N)CC2
• InChI: InChI=1S/C10H13NO/c1-12-8-4-2-7-3-5-10(11)9(7)6-8/h2,4,6,10H,3,5,11H2,1H3/t10-/m1/s1
• InChIKey: VYGIPIBKCOYHFK-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-6-methoxy-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: (1R)-6-methoxy-2,3-dihydro-1H-inden-1-amine
• Synonyms: (R)-6-METHOXY-2,3-DIHYDRO-1H-INDEN-1-AMINE

Database IDs

• CAS Number: 180915-77-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5170252
• LogD (pH = 7.4): -0.71802753
• Log P: 1.4855672
• Molar Refractivity: 48.5754 cm^3
• Polarizability: 19.093763 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%