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

• ChemBase ID: 274124
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: c12c(CCC2CN)cccc1OC
• Canonical SMILES: NCC1CCc2c1c(OC)ccc2
• InChI: InChI=1S/C11H15NO/c1-13-10-4-2-3-8-5-6-9(7-12)11(8)10/h2-4,9H,5-7,12H2,1H3
• InChIKey: AFKJFIOLCVNXGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7-methoxy-2,3-dihydro-1H-inden-1-yl)methanamine
• IUPAC Traditional name: (7-methoxy-2,3-dihydro-1H-inden-1-yl)methanamine
• Synonyms: (7-methoxy-2,3-dihydro-1H-inden-1-yl)methanamine

Database IDs

• MDL Number: MFCD18838734
• PubChem SID: 164330034
• PubChem CID: 54593032

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3618442
• LogD (pH = 7.4): -0.61070037
• Log P: 1.6446725
• Molar Refractivity: 53.4602 cm^3
• Polarizability: 20.863918 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.856

Product Information

• Purity: 95%