1-(morpholin-4-yl)-1-phenylpropan-2-amine

• ChemBase ID: 31096
• Molecular Formular: C13H20N2O
• Molecular Mass: 220.3107
• Monoisotopic Mass: 220.15756327
• SMILES: N1(C(c2ccccc2)C(N)C)CCOCC1
• Canonical SMILES: CC(C(c1ccccc1)N1CCOCC1)N
• InChI: InChI=1S/C13H20N2O/c1-11(14)13(12-5-3-2-4-6-12)15-7-9-16-10-8-15/h2-6,11,13H,7-10,14H2,1H3
• InChIKey: KPUFYSBGJJQBJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)-1-phenylpropan-2-amine
• IUPAC Traditional name: 1-(morpholin-4-yl)-1-phenylpropan-2-amine
• Synonyms: 1-Methyl-2-morpholin-4-yl-2-phenyl-ethylamine; 1-(morpholin-4-yl)-1-phenylpropan-2-amine

Database IDs

• MDL Number: MFCD06654908
• PubChem SID: 160994403
• PubChem CID: 3697140

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8201416
• LogD (pH = 7.4): -0.40118566
• Log P: 1.3755004
• Molar Refractivity: 65.714 cm^3
• Polarizability: 26.250889 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 130 - 132°C
• Hydrophobicity(logP): 1.43

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%