[(5-chloro-2-methoxyphenyl)methyl](ethyl)amine

• ChemBase ID: 312349
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: c1(c(ccc(c1)Cl)OC)CNCC
• Canonical SMILES: CCNCc1cc(Cl)ccc1OC
• InChI: InChI=1S/C10H14ClNO/c1-3-12-7-8-6-9(11)4-5-10(8)13-2/h4-6,12H,3,7H2,1-2H3
• InChIKey: ZCWVRBTXKWLARD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-chloro-2-methoxyphenyl)methyl](ethyl)amine
• IUPAC Traditional name: [(5-chloro-2-methoxyphenyl)methyl](ethyl)amine
• Synonyms: (5-chloro-2-methoxybenzyl)ethylamine

Database IDs

• CAS Number: 892587-96-1
• MDL Number: MFCD07412936

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6993221
• LogD (pH = 7.4): 0.77820426
• Log P: 2.334776
• Molar Refractivity: 55.3226 cm^3
• Polarizability: 21.74706 Å^3
• Polar Surface Area: 21.26 Å^2