{4-[(4-propoxyphenyl)methyl]morpholin-2-yl}methanamine

• ChemBase ID: 678222
• Molecular Formular: C15H24N2O2
• Molecular Mass: 264.36326
• Monoisotopic Mass: 264.18377802
• SMILES: N1(CC(OCC1)CN)Cc1ccc(cc1)OCCC
• Canonical SMILES: CCCOc1ccc(cc1)CN1CCOC(C1)CN
• InChI: InChI=1S/C15H24N2O2/c1-2-8-18-14-5-3-13(4-6-14)11-17-7-9-19-15(10-16)12-17/h3-6,15H,2,7-12,16H2,1H3
• InChIKey: BHGMOAWWFCJJTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[(4-propoxyphenyl)methyl]morpholin-2-yl}methanamine
• IUPAC Traditional name: {4-[(4-propoxyphenyl)methyl]morpholin-2-yl}methanamine
• Synonyms: 1-[4-(4-propoxybenzyl)morpholin-2-yl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8626633
• LogD (pH = 7.4): -0.34019983
• Log P: 1.6805844
• Molar Refractivity: 77.031 cm^3
• Polarizability: 30.595324 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.47
• LOG S: -1.38
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 6