2-[(4-chloronaphthalen-1-yl)oxy]-4-methylaniline

• ChemBase ID: 19941
• Molecular Formular: C17H14ClNO
• Molecular Mass: 283.75216
• Monoisotopic Mass: 283.07639175
• SMILES: c1(Oc2c(ccc(c2)C)N)c2c(c(cc1)Cl)cccc2
• Canonical SMILES: Cc1ccc(c(c1)Oc1ccc(c2c1cccc2)Cl)N
• InChI: InChI=1S/C17H14ClNO/c1-11-6-8-15(19)17(10-11)20-16-9-7-14(18)12-4-2-3-5-13(12)16/h2-10H,19H2,1H3
• InChIKey: BGCHOIBEUUFJLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-chloronaphthalen-1-yl)oxy]-4-methylaniline
• IUPAC Traditional name: 2-[(4-chloronaphthalen-1-yl)oxy]-4-methylaniline
• Synonyms: 2-[(4-Chloro-1-naphthyl)oxy]-4-methylphenylamine

Database IDs

• MDL Number: MFCD08687410
• PubChem SID: 160983248
• PubChem CID: 26189617

CALCULATED PROPERTIES

• Polarizability: 32.974525 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.7485046
• LogD (pH = 7.4): 4.7515116
• Log P: 4.7515497
• Molar Refractivity: 83.2954 cm^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false