(4-chlorophenyl)(oxolan-3-yl)methanamine

• ChemBase ID: 247437
• Molecular Formular: C11H14ClNO
• Molecular Mass: 211.68796
• Monoisotopic Mass: 211.07639175
• SMILES: C(c1ccc(cc1)Cl)(C1COCC1)N
• Canonical SMILES: Clc1ccc(cc1)C(C1COCC1)N
• InChI: InChI=1S/C11H14ClNO/c12-10-3-1-8(2-4-10)11(13)9-5-6-14-7-9/h1-4,9,11H,5-7,13H2
• InChIKey: BNJICPSSJZQIOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorophenyl)(oxolan-3-yl)methanamine
• IUPAC Traditional name: (4-chlorophenyl)(oxolan-3-yl)methanamine
• Synonyms: (4-chlorophenyl)(oxolan-3-yl)methanamine

Database IDs

• MDL Number: MFCD14610366
• PubChem SID: 164303347
• PubChem CID: 61271782

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2215332
• LogD (pH = 7.4): -0.42880523
• Log P: 1.781601
• Molar Refractivity: 57.6001 cm^3
• Polarizability: 22.881289 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.409

Product Information

• Purity: 95%