(1-benzofuran-2-ylmethyl)[5-(dimethylamino)pentyl]methylamine hydrochloride

• ChemBase ID: 180690
• Molecular Formular: C17H27ClN2O
• Molecular Mass: 310.86208
• Monoisotopic Mass: 310.18119117
• SMILES: c1(oc2c(c1)cccc2)CN(CCCCCN(C)C)C.Cl
• Canonical SMILES: CN(CCCCCN(Cc1cc2c(o1)cccc2)C)C.Cl
• InChI: InChI=1S/C17H26N2O.ClH/c1-18(2)11-7-4-8-12-19(3)14-16-13-15-9-5-6-10-17(15)20-16;/h5-6,9-10,13H,4,7-8,11-12,14H2,1-3H3;1H
• InChIKey: XLYKMRDLFMEPQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-benzofuran-2-ylmethyl)[5-(dimethylamino)pentyl]methylamine hydrochloride
• IUPAC Traditional name: (1-benzofuran-2-ylmethyl)[5-(dimethylamino)pentyl]methylamine hydrochloride

Database IDs

• PubChem SID: 164236600
• PubChem CID: 16192902

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -3.7462127
• LogD (pH = 7.4): -1.2803832
• Log P: 3.0343027
• Molar Refractivity: 85.4494 cm^3
• Polarizability: 34.415188 Å^3
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds