1-(4-benzylmorpholin-2-yl)propan-1-amine

• ChemBase ID: 238429
• Molecular Formular: C14H22N2O
• Molecular Mass: 234.33728
• Monoisotopic Mass: 234.17321333
• SMILES: N1(CC(OCC1)C(N)CC)Cc1ccccc1
• Canonical SMILES: CCC(C1OCCN(C1)Cc1ccccc1)N
• InChI: InChI=1S/C14H22N2O/c1-2-13(15)14-11-16(8-9-17-14)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,15H2,1H3
• InChIKey: GRAAOXUBCOHRGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-benzylmorpholin-2-yl)propan-1-amine
• IUPAC Traditional name: 1-(4-benzylmorpholin-2-yl)propan-1-amine
• Synonyms: 1-(4-benzylmorpholin-2-yl)propan-1-amine

Database IDs

• MDL Number: MFCD22375392
• PubChem SID: 164294339
• PubChem CID: 71756173

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1903517
• LogD (pH = 7.4): -0.42619383
• Log P: 1.8980228
• Molar Refractivity: 70.238 cm^3
• Polarizability: 28.097424 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.116

Product Information

• Purity: 95%