ethyl[1-(3-methoxyphenyl)ethyl]amine hydrochloride

• ChemBase ID: 257500
• Molecular Formular: C11H18ClNO
• Molecular Mass: 215.71972
• Monoisotopic Mass: 215.10769188
• SMILES: c1(cc(OC)ccc1)C(NCC)C.Cl
• Canonical SMILES: CCNC(c1cccc(c1)OC)C.Cl
• InChI: InChI=1S/C11H17NO.ClH/c1-4-12-9(2)10-6-5-7-11(8-10)13-3;/h5-9,12H,4H2,1-3H3;1H
• InChIKey: GXRURJRCAVDVRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[1-(3-methoxyphenyl)ethyl]amine hydrochloride
• IUPAC Traditional name: ethyl[1-(3-methoxyphenyl)ethyl]amine hydrochloride
• Synonyms: N-ethyl-N-[1-(3-methoxyphenyl)ethyl]amine hydrochloride

Database IDs

• MDL Number: MFCD11505461
• PubChem SID: 164313410
• PubChem CID: 42948141

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0485189
• LogD (pH = 7.4): -0.100383
• Log P: 2.1473064
• Molar Refractivity: 54.9366 cm^3
• Polarizability: 21.758722 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.267

Product Information

• Purity: 95%