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

• ChemBase ID: 258691
• Molecular Formular: C14H23ClN2O
• Molecular Mass: 270.79822
• Monoisotopic Mass: 270.14989105
• SMILES: N1(Cc2c(CN)cccc2)CC(OC(C1)C)C.Cl
• Canonical SMILES: NCc1ccccc1CN1CC(C)OC(C1)C.Cl
• InChI: InChI=1S/C14H22N2O.ClH/c1-11-8-16(9-12(2)17-11)10-14-6-4-3-5-13(14)7-15;/h3-6,11-12H,7-10,15H2,1-2H3;1H
• InChIKey: KBSHYJYBRYHTHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11795702
• PubChem SID: 164314601
• PubChem CID: 42933690

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.523254
• LogD (pH = 7.4): -0.8246789
• Log P: 1.6550606
• Molar Refractivity: 70.9862 cm^3
• Polarizability: 28.092403 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 220 - 222°C
• Hydrophobicity(logP): 1.829

Product Information

• Purity: 95%