2-(4-chlorophenyl)oxolan-3-amine

• ChemBase ID: 247021
• Molecular Formular: C10H12ClNO
• Molecular Mass: 197.66138
• Monoisotopic Mass: 197.06074169
• SMILES: C1(c2ccc(cc2)Cl)OCCC1N
• Canonical SMILES: NC1CCOC1c1ccc(cc1)Cl
• InChI: InChI=1S/C10H12ClNO/c11-8-3-1-7(2-4-8)10-9(12)5-6-13-10/h1-4,9-10H,5-6,12H2
• InChIKey: XTUXGVWPTSFKFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)oxolan-3-amine
• IUPAC Traditional name: 2-(4-chlorophenyl)oxolan-3-amine
• Synonyms: 2-(4-chlorophenyl)oxolan-3-amine

Database IDs

• MDL Number: MFCD21864264
• PubChem SID: 164302931
• PubChem CID: 71683252

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2902807
• LogD (pH = 7.4): -0.14963445
• Log P: 1.6640524
• Molar Refractivity: 52.6165 cm^3
• Polarizability: 21.039309 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.567

Product Information

• Purity: 95%