{2-[4-(morpholin-4-ylmethyl)phenyl]phenyl}methanamine

• ChemBase ID: 282064
• Molecular Formular: C18H22N2O
• Molecular Mass: 282.38008
• Monoisotopic Mass: 282.17321333
• SMILES: N1(Cc2ccc(c3c(CN)cccc3)cc2)CCOCC1
• Canonical SMILES: NCc1ccccc1c1ccc(cc1)CN1CCOCC1
• InChI: InChI=1S/C18H22N2O/c19-13-17-3-1-2-4-18(17)16-7-5-15(6-8-16)14-20-9-11-21-12-10-20/h1-8H,9-14,19H2
• InChIKey: HFPUMWVZKZXLCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[4-(morpholin-4-ylmethyl)phenyl]phenyl}methanamine
• IUPAC Traditional name: {2-[4-(morpholin-4-ylmethyl)phenyl]phenyl}methanamine
• Synonyms: {2-[4-(morpholin-4-ylmethyl)phenyl]phenyl}methanamine

Database IDs

• MDL Number: MFCD09044664
• PubChem SID: 180667595
• PubChem CID: 16772349

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3023798
• LogD (pH = 7.4): 0.022793682
• Log P: 2.469136
• Molar Refractivity: 87.2848 cm^3
• Polarizability: 35.447647 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.429

Product Information

• Purity: 95%