(3R)-N-({2-[4-(morpholin-4-yl)butoxy]phenyl}methyl)oxolan-3-amine

• ChemBase ID: 431412
• Molecular Formular: C19H30N2O3
• Molecular Mass: 334.4531
• Monoisotopic Mass: 334.22564283
• SMILES: N1(CCCCOc2c(CN[C@@H]3CCOC3)cccc2)CCOCC1
• Canonical SMILES: C(COc1ccccc1CN[C@H]1COCC1)CCN1CCOCC1
• InChI: InChI=1S/C19H30N2O3/c1-2-6-19(17(5-1)15-20-18-7-12-23-16-18)24-11-4-3-8-21-9-13-22-14-10-21/h1-2,5-6,18,20H,3-4,7-16H2/t18-/m1/s1
• InChIKey: UYGTZUJAFNZRDH-GOSISDBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-N-({2-[4-(morpholin-4-yl)butoxy]phenyl}methyl)oxolan-3-amine
• IUPAC Traditional name: (3R)-N-({2-[4-(morpholin-4-yl)butoxy]phenyl}methyl)oxolan-3-amine
• Synonyms: (3R)-N-[2-(4-morpholin-4-ylbutoxy)benzyl]tetrahydrofuran-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.2045949
• LogD (pH = 7.4): 0.12054266
• Log P: 1.6526163
• Molar Refractivity: 95.9829 cm^3
• Polarizability: 37.92095 Å^3
• Polar Surface Area: 42.96 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.95
• LOG S: -2.3
• Polar Surface Area: 42.96 Å^2
• Rotatable Bonds: 9