(1S)-1-(2-chlorophenyl)ethan-1-amine

• ChemBase ID: 262602
• Molecular Formular: C8H10ClN
• Molecular Mass: 155.6247
• Monoisotopic Mass: 155.05017701
• SMILES: c1(c(Cl)cccc1)[C@@H](N)C
• Canonical SMILES: C[C@@H](c1ccccc1Cl)N
• InChI: InChI=1S/C8H10ClN/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,10H2,1H3/t6-/m0/s1
• InChIKey: RJPLGQTZHLRZGX-LURJTMIESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-(2-chlorophenyl)ethan-1-amine
• IUPAC Traditional name: (1S)-1-(2-chlorophenyl)ethanamine
• Synonyms: (1S)-1-(2-chlorophenyl)ethan-1-amine

Database IDs

• MDL Number: MFCD06761892
• PubChem SID: 164318512
• PubChem CID: 1551199

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.86323166
• LogD (pH = 7.4): 0.11418182
• Log P: 2.119634
• Molar Refractivity: 43.755 cm^3
• Polarizability: 17.399698 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.116

Product Information

• Purity: 95%