(2S)-1-(2-methoxyphenyl)propan-2-amine hydrochloride

• ChemBase ID: 245621
• Molecular Formular: C10H16ClNO
• Molecular Mass: 201.69314
• Monoisotopic Mass: 201.09204182
• SMILES: c1(C[C@@H](N)C)c(OC)cccc1.Cl
• Canonical SMILES: COc1ccccc1C[C@@H](N)C.Cl
• InChI: InChI=1S/C10H15NO.ClH/c1-8(11)7-9-5-3-4-6-10(9)12-2;/h3-6,8H,7,11H2,1-2H3;1H/t8-;/m0./s1
• InChIKey: SXQBBTRLKWTAPV-QRPNPIFTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-1-(2-methoxyphenyl)propan-2-amine hydrochloride
• IUPAC Traditional name: (2S)-1-(2-methoxyphenyl)propan-2-amine hydrochloride
• Synonyms: (2S)-1-(2-methoxyphenyl)propan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD23144106
• PubChem SID: 164301531
• PubChem CID: 71757754

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3697842
• LogD (pH = 7.4): -0.77214295
• Log P: 1.6465793
• Molar Refractivity: 50.1684 cm^3
• Polarizability: 19.836973 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 1.661

Product Information

• Purity: 95%