(2,3-dihydro-1-benzofuran-2-ylmethyl)(ethyl)amine hydrochloride

• ChemBase ID: 34422
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: O1c2c(CC1CNCC)cccc2.Cl
• Canonical SMILES: CCNCC1Cc2c(O1)cccc2.Cl
• InChI: InChI=1S/C11H15NO.ClH/c1-2-12-8-10-7-9-5-3-4-6-11(9)13-10;/h3-6,10,12H,2,7-8H2,1H3;1H
• InChIKey: WJOUGRRZVNMMON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3-dihydro-1-benzofuran-2-ylmethyl)(ethyl)amine hydrochloride
• IUPAC Traditional name: (2,3-dihydro-1-benzofuran-2-ylmethyl)(ethyl)amine hydrochloride
• Synonyms: N-(2,3-Dihydro-1-benzofuran-2-ylmethyl)-N-ethylamine hydrochloride

Database IDs

• MDL Number: MFCD09028972
• PubChem SID: 160997729
• PubChem CID: 46736946

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2917001
• LogD (pH = 7.4): -0.37220198
• Log P: 1.9076346
• Molar Refractivity: 52.974 cm^3
• Polarizability: 20.943815 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false