(1-benzofuran-2-ylmethyl)[7-(dimethylamino)heptyl]methylamine

• ChemBase ID: 188783
• Molecular Formular: C19H30N2O
• Molecular Mass: 302.4543
• Monoisotopic Mass: 302.23581359
• SMILES: c1(oc2c(c1)cccc2)CN(CCCCCCCN(C)C)C
• Canonical SMILES: CN(CCCCCCCN(Cc1cc2c(o1)cccc2)C)C
• InChI: InChI=1S/C19H30N2O/c1-20(2)13-9-5-4-6-10-14-21(3)16-18-15-17-11-7-8-12-19(17)22-18/h7-8,11-12,15H,4-6,9-10,13-14,16H2,1-3H3
• InChIKey: BOJCQNRZLXDHLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-benzofuran-2-ylmethyl)[7-(dimethylamino)heptyl]methylamine
• IUPAC Traditional name: (1-benzofuran-2-ylmethyl)[7-(dimethylamino)heptyl]methylamine

Database IDs

• PubChem SID: 164244693
• PubChem CID: 1789011

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.85715
• LogD (pH = 7.4): -0.39145508
• Log P: 3.92344
• Molar Refractivity: 94.6514 cm^3
• Polarizability: 38.10924 Å^3
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 C2H5I
• Classification: Derivatives & analogs of Natural Compounds