diethyl[(6-methyl-1,3-dihydro-2-benzofuran-4-yl)methyl]amine hydrochloride

• ChemBase ID: 192726
• Molecular Formular: C14H22ClNO
• Molecular Mass: 255.78358
• Monoisotopic Mass: 255.13899201
• SMILES: c1(c2c(cc(c1)C)COC2)CN(CC)CC.Cl
• Canonical SMILES: CCN(Cc1cc(C)cc2c1COC2)CC.Cl
• InChI: InChI=1S/C14H21NO.ClH/c1-4-15(5-2)8-12-6-11(3)7-13-9-16-10-14(12)13;/h6-7H,4-5,8-10H2,1-3H3;1H
• InChIKey: RCHQDCROTJMPER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl[(6-methyl-1,3-dihydro-2-benzofuran-4-yl)methyl]amine hydrochloride
• IUPAC Traditional name: diethyl[(6-methyl-1,3-dihydro-2-benzofuran-4-yl)methyl]amine hydrochloride

Database IDs

• PubChem SID: 164248636
• PubChem CID: 52993753

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.5651122
• LogD (pH = 7.4): 0.8468231
• Log P: 2.768684
• Molar Refractivity: 69.2608 cm^3
• Polarizability: 26.482412 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Rare Derivatives of Natural Compounds