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

• ChemBase ID: 259048
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: c12C(C(Cc1cccc2)N)OC
• Canonical SMILES: COC1C(N)Cc2c1cccc2
• InChI: InChI=1S/C10H13NO/c1-12-10-8-5-3-2-4-7(8)6-9(10)11/h2-5,9-10H,6,11H2,1H3
• InChIKey: DMICMWRZNBCKBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11857923
• PubChem SID: 164314958
• PubChem CID: 17932723

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7389265
• LogD (pH = 7.4): -0.5806611
• Log P: 1.2114614
• Molar Refractivity: 48.2249 cm^3
• Polarizability: 19.108541 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.23

Product Information

• Purity: 95%