(5-chloro-2-methoxyphenyl)methanamine hydrochloride

• ChemBase ID: 258795
• Molecular Formular: C8H11Cl2NO
• Molecular Mass: 208.08504
• Monoisotopic Mass: 207.02176934
• SMILES: c1(c(ccc(c1)Cl)OC)CN.Cl
• Canonical SMILES: NCc1cc(Cl)ccc1OC.Cl
• InChI: InChI=1S/C8H10ClNO.ClH/c1-11-8-3-2-7(9)4-6(8)5-10;/h2-4H,5,10H2,1H3;1H
• InChIKey: OPBLMGOXNGWHTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-chloro-2-methoxyphenyl)methanamine hydrochloride
• IUPAC Traditional name: (5-chloro-2-methoxyphenyl)methanamine hydrochloride
• Synonyms: (5-chloro-2-methoxyphenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD06797811
• PubChem SID: 164314705
• PubChem CID: 24721652

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3116001
• LogD (pH = 7.4): 0.1070204
• Log P: 1.5453876
• Molar Refractivity: 45.7994 cm^3
• Polarizability: 18.06731 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 243 - 245°C
• Hydrophobicity(logP): 1.866

Product Information

• Purity: 95%