(2-chlorophenyl)(4-ethoxyphenyl)methanamine hydrochloride

• ChemBase ID: 278758
• Molecular Formular: C15H17Cl2NO
• Molecular Mass: 298.20758
• Monoisotopic Mass: 297.06871953
• SMILES: c1(C(c2ccc(cc2)OCC)N)c(Cl)cccc1.Cl
• Canonical SMILES: CCOc1ccc(cc1)C(c1ccccc1Cl)N.Cl
• InChI: InChI=1S/C15H16ClNO.ClH/c1-2-18-12-9-7-11(8-10-12)15(17)13-5-3-4-6-14(13)16;/h3-10,15H,2,17H2,1H3;1H
• InChIKey: KQAULLTUZVWGHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chlorophenyl)(4-ethoxyphenyl)methanamine hydrochloride
• IUPAC Traditional name: (2-chlorophenyl)(4-ethoxyphenyl)methanamine hydrochloride
• Synonyms: (2-chlorophenyl)(4-ethoxyphenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD20233506
• PubChem SID: 164334668
• PubChem CID: 53536423

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8516174
• LogD (pH = 7.4): 2.3075979
• Log P: 3.6864357
• Molar Refractivity: 74.8308 cm^3
• Polarizability: 29.513512 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.603

Product Information

• Purity: 95%