(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanamine

• ChemBase ID: 308135
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: c1(c(cc2c(c1)CCC2)OC)CN
• Canonical SMILES: NCc1cc2CCCc2cc1OC
• InChI: InChI=1S/C11H15NO/c1-13-11-6-9-4-2-3-8(9)5-10(11)7-12/h5-6H,2-4,7,12H2,1H3
• InChIKey: GDFXDWRMYNDYMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methoxy-2,3-dihydro-1H-inden-5-yl)methanamine
• IUPAC Traditional name: (6-methoxy-2,3-dihydro-1H-inden-5-yl)methanamine
• Synonyms: 1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanamine

Database IDs

• CAS Number: 879063-08-8
• MDL Number: MFCD07403242

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.96176845
• LogD (pH = 7.4): 0.33493444
• Log P: 1.9490285
• Molar Refractivity: 53.8758 cm^3
• Polarizability: 20.85949 Å^3
• Polar Surface Area: 35.25 Å^2