3-[(2,6-dimethylmorpholin-4-yl)methyl]aniline

• ChemBase ID: 277156
• Molecular Formular: C13H20N2O
• Molecular Mass: 220.3107
• Monoisotopic Mass: 220.15756327
• SMILES: N1(Cc2cc(N)ccc2)CC(OC(C1)C)C
• Canonical SMILES: CC1CN(CC(O1)C)Cc1cccc(c1)N
• InChI: InChI=1S/C13H20N2O/c1-10-7-15(8-11(2)16-10)9-12-4-3-5-13(14)6-12/h3-6,10-11H,7-9,14H2,1-2H3
• InChIKey: SAPOZTKSZOJTJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
• IUPAC Traditional name: 3-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
• Synonyms: 3-[(2,6-dimethylmorpholin-4-yl)methyl]aniline

Database IDs

• MDL Number: MFCD09807650
• PubChem SID: 164333066
• PubChem CID: 20112786

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.62122476
• LogD (pH = 7.4): 1.1215017
• Log P: 1.7003663
• Molar Refractivity: 67.2132 cm^3
• Polarizability: 25.855425 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.7

Product Information

• Purity: 95%