(4-chlorophenyl)(4-methylmorpholin-2-yl)methanamine

• ChemBase ID: 245281
• Molecular Formular: C12H17ClN2O
• Molecular Mass: 240.72918
• Monoisotopic Mass: 240.10294085
• SMILES: C1(C(c2ccc(cc2)Cl)N)CN(CCO1)C
• Canonical SMILES: NC(c1ccc(cc1)Cl)C1OCCN(C1)C
• InChI: InChI=1S/C12H17ClN2O/c1-15-6-7-16-11(8-15)12(14)9-2-4-10(13)5-3-9/h2-5,11-12H,6-8,14H2,1H3
• InChIKey: RHYYQGWSIACSKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorophenyl)(4-methylmorpholin-2-yl)methanamine
• IUPAC Traditional name: (4-chlorophenyl)(4-methylmorpholin-2-yl)methanamine
• Synonyms: (4-chlorophenyl)(4-methylmorpholin-2-yl)methanamine

Database IDs

• MDL Number: MFCD21792300
• PubChem SID: 164301191
• PubChem CID: 71683229

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9294109
• LogD (pH = 7.4): 0.00916413
• Log P: 1.6227372
• Molar Refractivity: 65.7702 cm^3
• Polarizability: 26.249369 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.763

Product Information

• Purity: 95%