1-methyl-2-[(4-phenoxyphenyl)methyl]hydrazine hydrochloride

• ChemBase ID: 101826
• Molecular Formular: C14H17ClN2O
• Molecular Mass: 264.75058
• Monoisotopic Mass: 264.10294085
• SMILES: O(c1ccc(cc1)CNNC)c1ccccc1.Cl
• Canonical SMILES: CNNCc1ccc(cc1)Oc1ccccc1.Cl
• InChI: InChI=1S/C14H16N2O.ClH/c1-15-16-11-12-7-9-14(10-8-12)17-13-5-3-2-4-6-13;/h2-10,15-16H,11H2,1H3;1H
• InChIKey: XHMJBLMLOQSQNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2-[(4-phenoxyphenyl)methyl]hydrazine hydrochloride
• IUPAC Traditional name: 1-methyl-2-[(4-phenoxyphenyl)methyl]hydrazine hydrochloride
• Synonyms: 1-methyl-2-(4-phenoxybenzyl)hydrazine hydrochloride

Database IDs

• PubChem SID: 162105352
• PubChem CID: 71300118

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2477512
• LogD (pH = 7.4): 2.630415
• Log P: 2.638322
• Molar Refractivity: 90.0766 cm^3
• Polarizability: 27.224081 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true