3-chloro-4-(2,6-dimethylmorpholin-4-yl)aniline

• ChemBase ID: 312261
• Molecular Formular: C12H17ClN2O
• Molecular Mass: 240.72918
• Monoisotopic Mass: 240.10294085
• SMILES: N1(c2c(cc(cc2)N)Cl)CC(OC(C1)C)C
• Canonical SMILES: CC1OC(C)CN(C1)c1ccc(cc1Cl)N
• InChI: InChI=1S/C12H17ClN2O/c1-8-6-15(7-9(2)16-8)12-4-3-10(14)5-11(12)13/h3-5,8-9H,6-7,14H2,1-2H3
• InChIKey: AFDLMBVDIMFVHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-4-(2,6-dimethylmorpholin-4-yl)aniline
• IUPAC Traditional name: 3-chloro-4-(2,6-dimethylmorpholin-4-yl)aniline
• Synonyms: 3-chloro-4-(2,6-dimethyl-4-morpholinyl)aniline

Database IDs

• CAS Number: 915923-04-5
• MDL Number: MFCD08691873

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.32604
• LogD (pH = 7.4): 2.4688911
• Log P: 2.471058
• Molar Refractivity: 67.9039 cm^3
• Polarizability: 25.493849 Å^3
• Polar Surface Area: 38.49 Å^2