{3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl}methanamine hydrochloride

• ChemBase ID: 263403
• Molecular Formular: C14H23ClN2O
• Molecular Mass: 270.79822
• Monoisotopic Mass: 270.14989105
• SMILES: N1(Cc2cc(CN)ccc2)CC(OC(C1)C)C.Cl
• Canonical SMILES: NCc1cccc(c1)CN1CC(C)OC(C1)C.Cl
• InChI: InChI=1S/C14H22N2O.ClH/c1-11-8-16(9-12(2)17-11)10-14-5-3-4-13(6-14)7-15;/h3-6,11-12H,7-10,15H2,1-2H3;1H
• InChIKey: RRCNAPMZYJQSDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl}methanamine hydrochloride
• IUPAC Traditional name: {3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl}methanamine hydrochloride
• Synonyms: {3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl}methanamine hydrochloride

Database IDs

• MDL Number: MFCD13196065
• PubChem SID: 164319313
• PubChem CID: 45792321

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3297522
• LogD (pH = 7.4): -0.7358536
• Log P: 1.6550606
• Molar Refractivity: 70.9862 cm^3
• Polarizability: 28.0924 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.879

Product Information

• Purity: 95%